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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N

Prepared SMILES:
OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N

P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)3.51961
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)3.425452
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)3.03993
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)2.713444
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)2.623365
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)2.599996
P282225-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ...G-protein coupled receptor 1 familyHTR1B3351;Homo sapiens (Human)2.539267
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)2.328568
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)2.309179
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)2.2951110
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)2.1646411
P42262Glutamate receptor 2 (GluR-2) (AMPA-selective glutamate receptor 2) (GluR-B) (GluR-K2) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA2 subfamilyGRIA22891;Homo sapiens (Human)2.1403912
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)2.1314313
P282215-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) ...G-protein coupled receptor 1 familyHTR1D3352;Homo sapiens (Human)2.1156114
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)2.0062415
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.9959216
P42263Glutamate receptor 3 (GluR-3) (AMPA-selective glutamate receptor 3) (GluR-C) (GluR-K3) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA3 subfamilyGRIA32892;Homo sapiens (Human)1.9206117
P42261Glutamate receptor 1 (GluR-1) (AMPA-selective glutamate receptor 1) (GluR-A) (GluR-K1) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA1 subfamilyGRIA12890;Homo sapiens (Human)1.9127718
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.8906819
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.8566720
Q16099Glutamate receptor ionotropic, kainate 4 (GluK4) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK4 subfamilyGRIK42900;Homo sapiens (Human)1.7012921
P48058Glutamate receptor 4 (GluR-4) (GluR4) (AMPA-selective glutamate receptor 4) (GluR-D) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA4 subfamilyGRIA42893;Homo sapiens (Human)1.6459922
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.5518623
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.5032724
O94760N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (DDAH-1) (Dimethylarginine dimethylaminohydrolase 1) (EC 3.5.3.18) (DDAHI) ...DDAH familyDDAH123576;Homo sapiens (Human)1.4921325
P39086Glutamate receptor ionotropic, kainate 1 (GluK1) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK1 subfamilyGRIK12897;Homo sapiens (Human)1.4660926
P07101Tyrosine 3-monooxygenase (EC 1.14.16.2) (Tyrosine 3-hydroxylase) (TH)Biopterin-dependent aromatic amino acid hydroxylase familyTH7054;Homo sapiens (Human)1.3327727
P32239Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)G-protein coupled receptor 1 familyCCKBR887;Homo sapiens (Human)1.2575728
P17752Tryptophan 5-hydroxylase 1 (EC 1.14.16.4) (Tryptophan 5-monooxygenase 1)Biopterin-dependent aromatic amino acid hydroxylase familyTPH17166;Homo sapiens (Human)1.1866829
P309395-hydroxytryptamine receptor 1F (5-HT-1F) (5-HT1F) (Serotonin receptor 1F)G-protein coupled receptor 1 familyHTR1F3355;Homo sapiens (Human)1.1675630
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.1389431
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)1.127632
Q16478Glutamate receptor ionotropic, kainate 5 (GluK5) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK5 subfamilyGRIK52901;Homo sapiens (Human)1.0908133
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)1.0902834
P460985-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) ...Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) ...HTR3A3359;Homo sapiens (Human)1.0884535
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0875436
Q7Z2W7Transient receptor potential cation channel subfamily M member 8 (Long ...Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamilyTRPM879054;Homo sapiens (Human)1.0840737
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)1.0830638
P25103Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)G-protein coupled receptor 1 familyTACR16869;Homo sapiens (Human)1.074339
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.0510140
O00222Metabotropic glutamate receptor 8 (mGluR8)G-protein coupled receptor 3 familyGRM82918;Homo sapiens (Human)1.0450641
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)1.0240942
Q13002Glutamate receptor ionotropic, kainate 2 (GluK2) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK2 subfamilyGRIK22898;Homo sapiens (Human)1.0211943
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.0151344
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.0068345
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.98949546
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.97551347
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)0.96881148
P25100Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamilyADRA1D146;Homo sapiens (Human)0.96167949
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)0.94292350
P49019Hydroxycarboxylic acid receptor 3 (G-protein coupled receptor 109B) (G-protein coupled ...G-protein coupled receptor 1 familyHCAR38843;Homo sapiens (Human)0.290841Known

[2] Untitled

Original SMILES:
OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N

Prepared SMILES:
OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N

P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)3.51961
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)3.425452
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)3.03993
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)2.713444
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)2.623365
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)2.599996
P282225-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ...G-protein coupled receptor 1 familyHTR1B3351;Homo sapiens (Human)2.539267
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)2.328568
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)2.309179
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)2.2951110
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)2.1646411
P42262Glutamate receptor 2 (GluR-2) (AMPA-selective glutamate receptor 2) (GluR-B) (GluR-K2) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA2 subfamilyGRIA22891;Homo sapiens (Human)2.1403912
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)2.1314313
P282215-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) ...G-protein coupled receptor 1 familyHTR1D3352;Homo sapiens (Human)2.1156114
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)2.0062415
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.9959216
P42263Glutamate receptor 3 (GluR-3) (AMPA-selective glutamate receptor 3) (GluR-C) (GluR-K3) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA3 subfamilyGRIA32892;Homo sapiens (Human)1.9206117
P42261Glutamate receptor 1 (GluR-1) (AMPA-selective glutamate receptor 1) (GluR-A) (GluR-K1) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA1 subfamilyGRIA12890;Homo sapiens (Human)1.9127718
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.8906819
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.8566720
Q16099Glutamate receptor ionotropic, kainate 4 (GluK4) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK4 subfamilyGRIK42900;Homo sapiens (Human)1.7012921
P48058Glutamate receptor 4 (GluR-4) (GluR4) (AMPA-selective glutamate receptor 4) (GluR-D) ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIA4 subfamilyGRIA42893;Homo sapiens (Human)1.6459922
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.5518623
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.5032724
O94760N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (DDAH-1) (Dimethylarginine dimethylaminohydrolase 1) (EC 3.5.3.18) (DDAHI) ...DDAH familyDDAH123576;Homo sapiens (Human)1.4921325
P39086Glutamate receptor ionotropic, kainate 1 (GluK1) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK1 subfamilyGRIK12897;Homo sapiens (Human)1.4660926
P07101Tyrosine 3-monooxygenase (EC 1.14.16.2) (Tyrosine 3-hydroxylase) (TH)Biopterin-dependent aromatic amino acid hydroxylase familyTH7054;Homo sapiens (Human)1.3327727
P32239Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)G-protein coupled receptor 1 familyCCKBR887;Homo sapiens (Human)1.2575728
P17752Tryptophan 5-hydroxylase 1 (EC 1.14.16.4) (Tryptophan 5-monooxygenase 1)Biopterin-dependent aromatic amino acid hydroxylase familyTPH17166;Homo sapiens (Human)1.1866829
P309395-hydroxytryptamine receptor 1F (5-HT-1F) (5-HT1F) (Serotonin receptor 1F)G-protein coupled receptor 1 familyHTR1F3355;Homo sapiens (Human)1.1675630
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.1389431
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)1.127632
Q16478Glutamate receptor ionotropic, kainate 5 (GluK5) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK5 subfamilyGRIK52901;Homo sapiens (Human)1.0908133
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)1.0902834
P460985-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) ...Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) ...HTR3A3359;Homo sapiens (Human)1.0884535
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0875436
Q7Z2W7Transient receptor potential cation channel subfamily M member 8 (Long ...Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamilyTRPM879054;Homo sapiens (Human)1.0840737
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)1.0830638
P25103Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)G-protein coupled receptor 1 familyTACR16869;Homo sapiens (Human)1.074339
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.0510140
O00222Metabotropic glutamate receptor 8 (mGluR8)G-protein coupled receptor 3 familyGRM82918;Homo sapiens (Human)1.0450641
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)1.0240942
Q13002Glutamate receptor ionotropic, kainate 2 (GluK2) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK2 subfamilyGRIK22898;Homo sapiens (Human)1.0211943
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.0151344
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.0068345
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.98949546
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.97551347
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)0.96881148
P25100Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamilyADRA1D146;Homo sapiens (Human)0.96167949
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)0.94292350
P49019Hydroxycarboxylic acid receptor 3 (G-protein coupled receptor 109B) (G-protein coupled ...G-protein coupled receptor 1 familyHCAR38843;Homo sapiens (Human)0.290841Known

[3] Untitled

Original SMILES:
Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O

Prepared SMILES:
Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O

P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.890341
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.391422
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)2.332343
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.314474
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.976865
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.913946
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.879977
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.85658
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.632999
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)1.5878910
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.5493911
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.53212
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.5197913
P08473Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...Peptidase M13 familyMME4311;Homo sapiens (Human)1.4475214
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.3751215
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3281516
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.292517
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.2674518
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.2432619
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.1640920
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0959921
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)1.0358122
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.0169723
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.97253424
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.96937425
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)0.91485426
Q9BYF1Angiotensin-converting enzyme 2 (EC 3.4.17.23) (ACE-related carboxypeptidase) (Angiotensin-converting enzyme homolog) ...Peptidase M2 familyACE259272;Homo sapiens (Human)0.90586227
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyFEN12237;Homo sapiens (Human)0.8988228
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)0.80169529
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.75722630
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.74702631
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.74439632
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.73775233
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)0.73608834
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.73285435
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.71174736
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.71035537
P21964Catechol O-methyltransferase (EC 2.1.1.6)Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase familyCOMT1312;Homo sapiens (Human)0.68257138
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)0.66888539
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.66738640
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.65461341
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.64789242
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)0.64556743
P20839Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) ...IMPDH/GMPR familyIMPDH13614;Homo sapiens (Human)0.64458544
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.63829645
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.62816546
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.59092847
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.59043548
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.5864349
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)0.57905250

[4] Untitled

Original SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O

Prepared SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O

P28715DNA repair protein complementing XP-G cells (EC 3.1.-.-) (DNA excision ...XPG/RAD2 endonuclease family, XPG subfamilyERCC52073;Homo sapiens (Human)3.848551
O75493Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ...Alpha-carbonic anhydrase familyCA11770;Homo sapiens (Human)3.244132
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.89034Known
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)2.546643
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.391424
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.314475
O75608Acyl-protein thioesterase 1 (APT-1) (hAPT1) (EC 3.1.2.-) (Lysophospholipase 1) (Lysophospholipase ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA110434;Homo sapiens (Human)2.206316
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.97686Known
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.91394Known
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.87997Known
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.85657
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.80658
O95372Acyl-protein thioesterase 2 (APT-2) (EC 3.1.2.-) (Lysophospholipase II) (LPL-II) (LysoPLA ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA211313;Homo sapiens (Human)1.792169
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)1.639910
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.63299Known
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)1.58789Known
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.5817611
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.532Known
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.4762412
Q99895Chymotrypsin-C (EC 3.4.21.2) (Caldecrin)Peptidase S1 family, Elastase subfamilyCTRC11330;Homo sapiens (Human)1.4363713
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)1.3620614
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.3485315
P08311Cathepsin G (CG) (EC 3.4.21.20)Peptidase S1 familyCTSG1511;Homo sapiens (Human)1.160616
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.1064417
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0959918
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.0940119
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.0773120
Q9Y5Y6Suppressor of tumorigenicity 14 protein (EC 3.4.21.109) (Matriptase) (Membrane-type serine ...Peptidase S1 familyST146768;Homo sapiens (Human)1.0640421
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.0468822
Q9GZV3High affinity choline transporter 1 (Hemicholinium-3-sensitive choline transporter) (CHT) (Solute ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A760482;Homo sapiens (Human)1.0264223
P00749Urokinase-type plasminogen activator (U-plasminogen activator) (uPA) (EC 3.4.21.73) [Cleaved into: ...Peptidase S1 familyPLAU5328;Homo sapiens (Human)1.0093824
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.0024625
P08473Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...Peptidase M13 familyMME4311;Homo sapiens (Human)0.99709626
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)0.97926127
Q15858Sodium channel protein type 9 subunit alpha (Neuroendocrine sodium channel) ...Sodium channel (TC 1.A.1.10) family, Nav1.7/SCN9A subfamilySCN9A6335;Homo sapiens (Human)0.92127628
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyFEN12237;Homo sapiens (Human)0.89882Known
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)0.89275729
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)0.88743530
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.88626131
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.87839232
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)0.87271733
Q99436Proteasome subunit beta type-7 (EC 3.4.25.1) (Macropain chain Z) (Multicatalytic ...Peptidase T1B familyPSMB75695;Homo sapiens (Human)0.87234734
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.86808335
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.82400536
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.81295937
P00403Cytochrome c oxidase subunit 2 (Cytochrome c oxidase polypeptide II)Cytochrome c oxidase subunit 2 familyMT-CO24513;Homo sapiens (Human)0.81272538
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.80784839
Q15661Tryptase alpha/beta-1 (Tryptase-1) (EC 3.4.21.59) (Tryptase I) (Tryptase alpha-1)Peptidase S1 family, Tryptase subfamilyTPSAB17177;Homo sapiens (Human)0.80565240
P08709Coagulation factor VII (EC 3.4.21.21) (Proconvertin) (Serum prothrombin conversion accelerator) ...Peptidase S1 familyF72155;Homo sapiens (Human)0.80132541
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)0.80052942
Q9H2X9Solute carrier family 12 member 5 (Electroneutral potassium-chloride cotransporter 2) ...SLC12A transporter familySLC12A557468;Homo sapiens (Human)0.79351343
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)0.7698844
P40225Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ...EPO/TPO familyTHPO7066;Homo sapiens (Human)0.74738345
P23946Chymase (EC 3.4.21.39) (Alpha-chymase) (Mast cell protease I)Peptidase S1 family, Granzyme subfamilyCMA11215;Homo sapiens (Human)0.71586646
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)0.71349747
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.70051948
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.68316949
P42575Caspase-2 (CASP-2) (EC 3.4.22.55) (Neural precursor cell expressed developmentally down-regulated ...Peptidase C14A familyCASP2835;Homo sapiens (Human)0.6760150
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.533406Known
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)0.474942Known
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.280542Known
P07451Carbonic anhydrase 3 (EC 4.2.1.1) (Carbonate dehydratase III) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA3761;Homo sapiens (Human)0.214219Known

[5] Untitled

Original SMILES:
Oc1ccc(cc1)CC1(O)Oc2c(C1=O)c(O)cc(c2)O

Prepared SMILES:
Oc1ccc(cc1)CC1(O)Oc2c(C1=O)c(O)cc(c2)O

P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)2.788441
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)2.723032
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.46163
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438684
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.284655
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.057676
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.998057
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.983568
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.976869
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.8879510
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.7708711
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.6968512
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.6960113
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.6329914
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.5412915
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)1.47716
Q15904V-type proton ATPase subunit S1 (V-ATPase subunit S1) (Protein XAP-3) ...Vacuolar ATPase subunit S1 familyATP6AP1537;Homo sapiens (Human)1.4748117
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)1.390418
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.3684319
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3281520
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.3272921
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3205422
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.3114123
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.3103324
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.2574125
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)1.2557726
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.2518727
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.1904328
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.1895929
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)1.16430
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)1.161131
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.1555332
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.1274733
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.0957334
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)1.0865435
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)1.0575436
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.0365937
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.94666138
P282225-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ...G-protein coupled receptor 1 familyHTR1B3351;Homo sapiens (Human)0.93485639
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.92716640
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.9260841
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.92209242
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.88213843
Q9UBN4Short transient receptor potential channel 4 (TrpC4) (Trp-related protein 4) ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC4 sub-subfamilyTRPC47223;Homo sapiens (Human)0.86934544
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.86887445
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)0.85041946
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyTSHR7253;Homo sapiens (Human)0.84026247
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)0.83681448
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.83281249
P08913Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamilyADRA2A150;Homo sapiens (Human)0.82751650

[6] Untitled

Original SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O

Prepared SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O

P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.24678Known
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.890341
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.314472
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)2.07758Known
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.020413
Q14289Protein-tyrosine kinase 2-beta (EC 2.7.10.2) (Calcium-dependent tyrosine kinase) (CADTK) (Calcium-regulated ...Protein kinase superfamily, Tyr protein kinase family, FAK subfamilyPTK2B2185;Homo sapiens (Human)2.018334
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.97686Known
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.91394Known
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.87997Known
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.85655
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.632996
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)1.58789Known
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.533137
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.532Known
P45984Mitogen-activated protein kinase 9 (MAP kinase 9) (MAPK 9) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK95601;Homo sapiens (Human)1.479568
O75608Acyl-protein thioesterase 1 (APT-1) (hAPT1) (EC 3.1.2.-) (Lysophospholipase 1) (Lysophospholipase ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA110434;Homo sapiens (Human)1.345459
P45983Mitogen-activated protein kinase 8 (MAP kinase 8) (MAPK 8) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK85599;Homo sapiens (Human)1.2578410
Q99895Chymotrypsin-C (EC 3.4.21.2) (Caldecrin)Peptidase S1 family, Elastase subfamilyCTRC11330;Homo sapiens (Human)1.2396211
Q15759Mitogen-activated protein kinase 11 (MAP kinase 11) (MAPK 11) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK115600;Homo sapiens (Human)1.1798712
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)1.1557413
O75493Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ...Alpha-carbonic anhydrase familyCA11770;Homo sapiens (Human)1.1164614
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0959915
O95372Acyl-protein thioesterase 2 (APT-2) (EC 3.1.2.-) (Lysophospholipase II) (LPL-II) (LysoPLA ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA211313;Homo sapiens (Human)1.092916
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)0.95694417
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)0.92080418
Q9Y5Y6Suppressor of tumorigenicity 14 protein (EC 3.4.21.109) (Matriptase) (Membrane-type serine ...Peptidase S1 familyST146768;Homo sapiens (Human)0.91572919
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.91554320
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyFEN12237;Homo sapiens (Human)0.8988221
P00749Urokinase-type plasminogen activator (U-plasminogen activator) (uPA) (EC 3.4.21.73) [Cleaved into: ...Peptidase S1 familyPLAU5328;Homo sapiens (Human)0.85411322
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.82400523
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.81219224
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)0.75902725
P08311Cathepsin G (CG) (EC 3.4.21.20)Peptidase S1 familyCTSG1511;Homo sapiens (Human)0.74707726
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.71625527
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.71514728
Q15661Tryptase alpha/beta-1 (Tryptase-1) (EC 3.4.21.59) (Tryptase I) (Tryptase alpha-1)Peptidase S1 family, Tryptase subfamilyTPSAB17177;Homo sapiens (Human)0.69095829
P08709Coagulation factor VII (EC 3.4.21.21) (Proconvertin) (Serum prothrombin conversion accelerator) ...Peptidase S1 familyF72155;Homo sapiens (Human)0.68832730
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.68610131
P08473Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...Peptidase M13 familyMME4311;Homo sapiens (Human)0.68542432
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.68400933
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.66249934
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.654613Known
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)0.62465335
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)0.62132836
P05981Serine protease hepsin (EC 3.4.21.106) (Transmembrane protease serine 1) [Cleaved ...Peptidase S1 familyHPN3249;Homo sapiens (Human)0.61570437
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.61442338
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.59833739
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.5864340
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.58215641
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.57541942
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.5599943
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.55922944
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.55624545
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.55012546
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)0.53607547
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.53340648
Q13224Glutamate receptor ionotropic, NMDA 2B (GluN2B) (Glutamate [NMDA] receptor subunit ...Glutamate-gated ion channel (TC 1.A.10.1) family, NR2B/GRIN2B subfamilyGRIN2B2904;Homo sapiens (Human)0.52384849
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.51567750
P05186Alkaline phosphatase, tissue-nonspecific isozyme (AP-TNAP) (TNSALP) (EC 3.1.3.1) (Alkaline phosphatase ...Alkaline phosphatase familyALPL249;Homo sapiens (Human)0.419712Known

[7] Untitled

Original SMILES:
Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O

Prepared SMILES:
Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O

P28715DNA repair protein complementing XP-G cells (EC 3.1.-.-) (DNA excision ...XPG/RAD2 endonuclease family, XPG subfamilyERCC52073;Homo sapiens (Human)2.084081
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.788092
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.450353
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.423514
P21918D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine ...G-protein coupled receptor 1 familyDRD51816;Homo sapiens (Human)1.394365
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)1.355866
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.341467
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.275458
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.263739
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.2350810
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.2036711
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.1854512
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.1684913
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)1.1475714
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)1.1335915
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.1301416
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)1.1300217
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.0868318
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyFEN12237;Homo sapiens (Human)1.0646Known
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.050619
P40225Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ...EPO/TPO familyTHPO7066;Homo sapiens (Human)1.0500820
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0068121
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.0057322
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)0.98264623
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)0.95874824
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)0.95291925
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.9308926
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.8914127
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.878392Known
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.87239728
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.86966429
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)0.86775630
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.867528Known
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.8627731
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.862497Known
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyTSHR7253;Homo sapiens (Human)0.8452932
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)0.83750133
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.83215134
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)0.82807935
O75475PC4 and SFRS1-interacting protein (CLL-associated antigen KW-7) (Dense fine speckles ...HDGF familyPSIP111168;Homo sapiens (Human)0.82482536
Q9Y468Lethal(3)malignant brain tumor-like protein 1 (H-l(3)mbt) (H-l(3)mbt protein) (L(3)mbt-like) (L(3)mbt ...L3MBTL126013;Homo sapiens (Human)0.8235437
P11309Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamilyPIM15292;Homo sapiens (Human)0.82343438
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.80242439
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)0.78775440
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)0.7813941
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)0.77045742
P00352Retinal dehydrogenase 1 (RALDH 1) (RalDH1) (EC 1.2.1.-) (EC 1.2.1.36) ...Aldehyde dehydrogenase familyALDH1A1216;Homo sapiens (Human)0.76440443
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.76182544
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.75652545
P08913Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamilyADRA2A150;Homo sapiens (Human)0.75119846
Q96RJ0Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1)G-protein coupled receptor 1 familyTAAR1134864;Homo sapiens (Human)0.74708947
P18054Arachidonate 12-lipoxygenase, 12S-type (12S-LOX) (12S-lipoxygenase) (EC 1.13.11.31) (Lipoxin synthase 12-LO) ...Lipoxygenase familyALOX12239;Homo sapiens (Human)0.74348448
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)0.71807749
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)0.71351650
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyGLO12739;Homo sapiens (Human)0.612199Known
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.502434Known
O15296Arachidonate 15-lipoxygenase B (15-LOX-B) (EC 1.13.11.33) (15-lipoxygenase 2) (15-LOX-2) (Arachidonate ...Lipoxygenase familyALOX15B247;Homo sapiens (Human)0.464584Known
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.426575Known
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)0.409308Known
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyATAD579915;Homo sapiens (Human)0.255119Known
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)MAPT4137;Homo sapiens (Human)0.167112Known

[8] Untitled

Original SMILES:
Oc1ccc(cc1)/C=C\c1cc(O)cc(c1)O

Prepared SMILES:
Oc1ccc(cc1)/C=C\c1cc(O)cc(c1)O

P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.20061
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)2.038392
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)1.940013
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.930164
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.871095
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.734276
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.610117
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.529328
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.515899
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.4754510
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.4723411
Q9H4B7Tubulin beta-1 chainTubulin familyTUBB181027;Homo sapiens (Human)1.4677812
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.4524113
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.4235114
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.2828115
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2692616
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.2673517
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)1.2173118
Q9GZV3High affinity choline transporter 1 (Hemicholinium-3-sensitive choline transporter) (CHT) (Solute ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A760482;Homo sapiens (Human)1.1941919
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.1936920
Q13509Tubulin beta-3 chain (Tubulin beta-4 chain) (Tubulin beta-III)Tubulin familyTUBB310381;Homo sapiens (Human)1.1882521
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.1854522
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.1499623
O94811Tubulin polymerization-promoting protein (TPPP) (25 kDa brain-specific protein) (TPPP/p25) (p24) ...TPPP familyTPPP11076;Homo sapiens (Human)1.127424
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)1.1067525
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.0807326
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)1.0418427
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.0057328
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.0048329
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.97781230
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.96879331
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)0.95065132
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.94666133
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.9308934
P21964Catechol O-methyltransferase (EC 2.1.1.6)Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase familyCOMT1312;Homo sapiens (Human)0.9287235
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.90606336
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)0.89974737
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.89422838
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)0.89101439
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.88889440
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)0.88324141
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.86772242
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)0.85656243
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.84985644
P62508Estrogen-related receptor gamma (ERR gamma-2) (Estrogen receptor-related protein 3) (Nuclear ...Nuclear hormone receptor family, NR3 subfamilyESRRG2104;Homo sapiens (Human)0.82645945
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)0.79993546
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.79434247
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.78752848
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.78107549
P06870Kallikrein-1 (EC 3.4.21.35) (Kidney/pancreas/salivary gland kallikrein) (Tissue kallikrein)Peptidase S1 family, Kallikrein subfamilyKLK13816;Homo sapiens (Human)0.76138150

[9] Untitled

Original SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O

Prepared SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O

Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.271551
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.21882
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.212473
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.130644
P09884DNA polymerase alpha catalytic subunit (EC 2.7.7.7) (DNA polymerase alpha ...DNA polymerase type-B familyPOLA15422;Homo sapiens (Human)1.080925
Q9Y468Lethal(3)malignant brain tumor-like protein 1 (H-l(3)mbt) (H-l(3)mbt protein) (L(3)mbt-like) (L(3)mbt ...L3MBTL126013;Homo sapiens (Human)1.049696
P19801Amiloride-sensitive amine oxidase [copper-containing] (DAO) (Diamine oxidase) (EC 1.4.3.22) (Amiloride-binding ...Copper/topaquinone oxidase familyAOC126;Homo sapiens (Human)0.9663447
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.9461718
O75475PC4 and SFRS1-interacting protein (CLL-associated antigen KW-7) (Dense fine speckles ...HDGF familyPSIP111168;Homo sapiens (Human)0.8969059
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)0.87206110
Q14330N-arachidonyl glycine receptor (NAGly receptor) (G-protein coupled receptor 18)G-protein coupled receptor 1 familyGPR182841;Homo sapiens (Human)0.81172911
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.78904312
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)0.76210713
Q9UNA4DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B)DNA polymerase type-Y familyPOLI11201;Homo sapiens (Human)0.73829814
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.72985915
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyFEN12237;Homo sapiens (Human)0.72709416
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.71339417
P22736Nuclear receptor subfamily 4 group A member 1 (Early response ...Nuclear hormone receptor family, NR4 subfamilyNR4A13164;Homo sapiens (Human)0.70237918
P32929Cystathionine gamma-lyase (EC 4.4.1.1) (Cysteine-protein sulfhydrase) (Gamma-cystathionase)Trans-sulfuration enzymes familyCTH1491;Homo sapiens (Human)0.67892619
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.65461320
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.649994Known
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.63090321
Q99549M-phase phosphoprotein 8 (Two hybrid-associated protein 3 with RanBPM) (Twa3)MPHOSPH854737;Homo sapiens (Human)0.62709722
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.62218923
Q07820Induced myeloid leukemia cell differentiation protein Mcl-1 (Bcl-2-like protein 3) ...Bcl-2 familyMCL14170;Homo sapiens (Human)0.61727624
P04271Protein S100-B (S-100 protein beta chain) (S-100 protein subunit beta) ...S-100 familyS100B6285;Homo sapiens (Human)0.61690625
Q9UBM77-dehydrocholesterol reductase (7-DHC reductase) (EC 1.3.1.21) (Putative sterol reductase SR-2) ...ERG4/ERG24 familyDHCR71717;Homo sapiens (Human)0.6138626
Q9Y253DNA polymerase eta (EC 2.7.7.7) (RAD30 homolog A) (Xeroderma pigmentosum ...DNA polymerase type-Y familyPOLH5429;Homo sapiens (Human)0.60160827
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)0.60051928
P46063ATP-dependent DNA helicase Q1 (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyRECQL5965;Homo sapiens (Human)0.59375629
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)0.59271730
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.56748831
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.55624532
Q9UIF8Bromodomain adjacent to zinc finger domain protein 2B (hWALp4)WAL familyBAZ2B29994;Homo sapiens (Human)0.55000933
P40225Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ...EPO/TPO familyTHPO7066;Homo sapiens (Human)0.52533534
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyGLO12739;Homo sapiens (Human)0.52492935
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.52481536
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.51504437
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.4913538
P02766Transthyretin (ATTR) (Prealbumin) (TBPA)Transthyretin familyTTR7276;Homo sapiens (Human)0.48868539
P16050Arachidonate 15-lipoxygenase (15-LOX) (15-LOX-1) (EC 1.13.11.33) (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) ...Lipoxygenase familyALOX15246;Homo sapiens (Human)0.47831840
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familySLCO1B110599;Homo sapiens (Human)0.47765641
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)0.47459942
P08069Insulin-like growth factor 1 receptor (EC 2.7.10.1) (Insulin-like growth factor ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyIGF1R3480;Homo sapiens (Human)0.47160843
Q14191Werner syndrome ATP-dependent helicase (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyWRN7486;Homo sapiens (Human)0.47101844
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.469145
P43351DNA repair protein RAD52 homologRAD52 familyRAD525893;Homo sapiens (Human)0.46873246
O15296Arachidonate 15-lipoxygenase B (15-LOX-B) (EC 1.13.11.33) (15-lipoxygenase 2) (15-LOX-2) (Arachidonate ...Lipoxygenase familyALOX15B247;Homo sapiens (Human)0.46458447
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)0.44936448
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.43729749
P35236Tyrosine-protein phosphatase non-receptor type 7 (EC 3.1.3.48) (Hematopoietic protein-tyrosine phosphatase) ...Protein-tyrosine phosphatase family, Non-receptor class subfamilyPTPN75778;Homo sapiens (Human)0.433250

[10] Untitled

Original SMILES:
Oc1cc2OC(c3c(O)cccc3O)C(C(=O)c2c(c1)O)O

Prepared SMILES:
Oc1cc2OC(c3c(O)cccc3O)C(C(=O)c2c(c1)O)O

P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438681
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.392452
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)2.346143
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)2.124034
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)2.091035
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)2.084496
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.913947
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.912988
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.693689
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.6329910
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.6251111
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.5527412
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)1.5517213
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.503914
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.455515
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3924816
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3713217
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.3419818
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.1760419
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.0842120
O60930Ribonuclease H1 (RNase H1) (EC 3.1.26.4) (Ribonuclease H type II)RNase H familyRNASEH1246243;Homo sapiens (Human)1.0749821
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)1.0732222
Q9UM73ALK tyrosine kinase receptor (EC 2.7.10.1) (Anaplastic lymphoma kinase) (CD ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyALK238;Homo sapiens (Human)1.0589323
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.0432624
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)1.0193125
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)0.99790326
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)0.99343327
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)0.95435328
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.93902229
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.92597130
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.86431331
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familySLCO1B110599;Homo sapiens (Human)0.86066832
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)0.8542333
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.85131334
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.84981335
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)0.83370736
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.82400537
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)0.82011438
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)0.79502439
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)0.78598540
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.7767941
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)0.761342
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.75761443
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)0.7286444
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.72132645
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.71684746
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.68543447
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)0.6843148
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.67939449
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.66379950

[11] Untitled

Original SMILES:
COC(=O)C(C(=O)C[C@H]1C(=O)O[C@]([C@@H]1C)(C)O)(CC)C

Prepared SMILES:
COC(=O)C(C(=O)C[C@H]1C(=O)O[C@]([C@@H]1C)(C)O)(CC)C

Q99538Legumain (EC 3.4.22.34) (Asparaginyl endopeptidase) (Protease, cysteine 1)Peptidase C13 familyLGMN5641;Homo sapiens (Human)4.045761
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)3.68762
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)3.162783
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)2.960554
P62942Peptidyl-prolyl cis-trans isomerase FKBP1A (PPIase FKBP1A) (EC 5.2.1.8) (12 kDa ...FKBP-type PPIase family, FKBP1 subfamilyFKBP1A2280;Homo sapiens (Human)2.8045
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)2.725476
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)2.528427
P25116Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)G-protein coupled receptor 1 familyF2R2149;Homo sapiens (Human)2.479898
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)2.447439
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.4168810
O00481Butyrophilin subfamily 3 member A1 (CD antigen CD277)Immunoglobulin superfamily, BTN/MOG familyBTN3A111119;Homo sapiens (Human)2.3720211
P42330Aldo-keto reductase family 1 member C3 (EC 1.-.-.-) (17-beta-hydroxysteroid dehydrogenase ...Aldo/keto reductase familyAKR1C38644;Homo sapiens (Human)2.3627412
Q96T53Ghrelin O-acyltransferase (EC 2.3.1.-) (Membrane-bound O-acyltransferase domain-containing protein 4) (O-acyltransferase ...Membrane-bound acyltransferase familyMBOAT4619373;Homo sapiens (Human)2.2566813
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)2.1364314
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.077115
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)2.0619716
Q15904V-type proton ATPase subunit S1 (V-ATPase subunit S1) (Protein XAP-3) ...Vacuolar ATPase subunit S1 familyATP6AP1537;Homo sapiens (Human)217
P18089Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamilyADRA2B151;Homo sapiens (Human)1.7921218
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)1.7714819
P32247Bombesin receptor subtype-3 (BRS-3)G-protein coupled receptor 1 familyBRS3680;Homo sapiens (Human)1.7553320
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)1.6994121
Q9UNI1Chymotrypsin-like elastase family member 1 (EC 3.4.21.36) (Elastase-1) (Pancreatic elastase ...Peptidase S1 family, Elastase subfamilyCELA11990;Homo sapiens (Human)1.6963222
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)1.6401823
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.6119524
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1I28856;Homo sapiens (Human)1.5588425
P32239Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)G-protein coupled receptor 1 familyCCKBR887;Homo sapiens (Human)1.5261326
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.5228727
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.4823928
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyDPP41803;Homo sapiens (Human)1.4341429
O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)1.4231730
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.4207231
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.4202732
P51681C-C chemokine receptor type 5 (C-C CKR-5) (CC-CKR-5) (CCR-5) (CCR5) ...G-protein coupled receptor 1 familyCCR51234;Homo sapiens (Human)1.4194233
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.4071534
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)1.387735
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.3827936
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.3741837
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)1.3631638
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...ADAM176868;Homo sapiens (Human)1.3570539
Q13093Platelet-activating factor acetylhydrolase (PAF acetylhydrolase) (EC 3.1.1.47) (1-alkyl-2-acetylglycerophosphocholine esterase) (2-acetyl-1-alkylglycerophosphocholine ...AB hydrolase superfamily, Lipase familyPLA2G77941;Homo sapiens (Human)1.3455840
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.3350941
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.319342
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)1.3068243
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)1.3062444
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyMMP24313;Homo sapiens (Human)1.29845
P25100Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamilyADRA1D146;Homo sapiens (Human)1.2964546
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)1.2955547
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)1.2778148
P35368Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamilyADRA1B147;Homo sapiens (Human)1.277649
Q13822Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) ...Nucleotide pyrophosphatase/phosphodiesterase familyENPP25168;Homo sapiens (Human)1.2704350

[12] Untitled

Original SMILES:
Oc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)O)O

Prepared SMILES:
Oc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)O)O

P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.56871
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)2.566532
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)2.544383
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)2.449784
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)2.447565
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438686
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)2.166417
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)2.141238
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.976869
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.9129810
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.8636211
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.8102512
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.7512913
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)1.7290614
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.7097515
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.6329916
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.6265517
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.5966418
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.5625719
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.474320
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)1.4562921
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.4509822
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.4476423
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)1.4453424
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3713225
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.3637726
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3281527
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)1.2473128
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.1955629
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.1934930
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.1915331
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.1910532
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0959933
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.0545834
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.0536435
P21964Catechol O-methyltransferase (EC 2.1.1.6)Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase familyCOMT1312;Homo sapiens (Human)1.031336
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)0.98120337
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)0.966438
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.94666139
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.93819940
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.91437541
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.90053442
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A16523;Homo sapiens (Human)0.8678643
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.84513744
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)0.83772145
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)0.83672746
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.82400547
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)0.82146948
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)0.81572449
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)0.79721850

[13] Untitled

Original SMILES:
Oc1ccc(cc1)Cc1ccc(cc1)O

Prepared SMILES:
Oc1ccc(cc1)Cc1ccc(cc1)O

P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)2.567621
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)2.243842
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)2.209193
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)2.170954
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.020155
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.93496
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.897397
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.85878
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)1.846569
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.7116510
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.6769711
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.6587912
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.6379613
P15559NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...NAD(P)H dehydrogenase (quinone) familyNQO11728;Homo sapiens (Human)1.6152914
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.6064515
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyHRH13269;Homo sapiens (Human)1.5328716
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.4636717
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.4545118
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.4471619
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)1.4155920
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.3558121
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.3429222
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.3375723
P21918D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine ...G-protein coupled receptor 1 familyDRD51816;Homo sapiens (Human)1.3059524
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)1.2581825
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A16523;Homo sapiens (Human)1.2262726
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.196327
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.1936928
Q16831Uridine phosphorylase 1 (UPase 1) (UrdPase 1) (EC 2.4.2.3)PNP/UDP phosphorylase familyUPP17378;Homo sapiens (Human)1.1703229
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.1499630
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)1.0770631
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)1.0532132
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)1.04733
P62508Estrogen-related receptor gamma (ERR gamma-2) (Estrogen receptor-related protein 3) (Nuclear ...Nuclear hormone receptor family, NR3 subfamilyESRRG2104;Homo sapiens (Human)0.96115134
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)0.94615535
Q9Y2T5G-protein coupled receptor 52G-protein coupled receptor 1 familyGPR529293;Homo sapiens (Human)0.94462436
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.93295737
Q96LB1Mas-related G-protein coupled receptor member X2G-protein coupled receptor 1 family, Mas subfamilyMRGPRX2117194;Homo sapiens (Human)0.9117938
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.88156539
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.87200540
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)0.86967841
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.8627742
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.85333943
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)0.85116544
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.84355545
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)0.84352546
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.84294247
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.82701248
Q9NQS5G-protein coupled receptor 84 (Inflammation-related G-protein coupled receptor EX33)G-protein coupled receptor 1 familyGPR8453831;Homo sapiens (Human)0.80122849
P10415Apoptosis regulator Bcl-2Bcl-2 familyBCL2596;Homo sapiens (Human)0.80097950

[14] Untitled

Original SMILES:
Oc1ccc(c(c1)O)/C=C/c1cc(O)cc(c1)O

Prepared SMILES:
Oc1ccc(c(c1)O)/C=C/c1cc(O)cc(c1)O

P49662Caspase-4 (CASP-4) (EC 3.4.22.57) (ICE and Ced-3 homolog 2) (ICH-2) ...Peptidase C14A familyCASP4837;Homo sapiens (Human)3.499661
Q96Q15Serine/threonine-protein kinase SMG1 (SMG-1) (hSMG-1) (EC 2.7.11.1) (61E3.4) (Lambda/iota protein ...PI3/PI4-kinase familySMG123049;Homo sapiens (Human)3.458612
P51878Caspase-5 (CASP-5) (EC 3.4.22.58) (ICE(rel)-III) (Protease ICH-3) (Protease TY) [Cleaved ...Peptidase C14A familyCASP5838;Homo sapiens (Human)3.434263
Q6UVM3Potassium channel subfamily T member 2 (Sequence like an intermediate ...Potassium channel family, Calcium-activated (TC 1.A.1.3) subfamily, KCa4.2/KCNT2 sub-subfamilyKCNT2343450;Homo sapiens (Human)3.357164
P12104Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP22169;Homo sapiens (Human)2.853935
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.639216
Q13563Polycystin-2 (PC2) (Autosomal dominant polycystic kidney disease type II protein) ...Polycystin familyPKD25311;Homo sapiens (Human)2.29937
P50613Cyclin-dependent kinase 7 (EC 2.7.11.22) (EC 2.7.11.23) (39 kDa protein ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK71022;Homo sapiens (Human)2.079378
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)2.071179
P55211Caspase-9 (CASP-9) (EC 3.4.22.62) (Apoptotic protease Mch-6) (Apoptotic protease-activating factor ...Peptidase C14A familyCASP9842;Homo sapiens (Human)2.0265710
P49841Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamilyGSK3B2932;Homo sapiens (Human)1.8263211
Q9BZL6Serine/threonine-protein kinase D2 (EC 2.7.11.13) (nPKC-D2)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PKD subfamilyPRKD225865;Homo sapiens (Human)1.6416812
O94806Serine/threonine-protein kinase D3 (EC 2.7.11.13) (Protein kinase C nu type) ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PKD subfamilyPRKD323683;Homo sapiens (Human)1.5179313
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.5127214
Q04828Aldo-keto reductase family 1 member C1 (EC 1.1.1.-) (20-alpha-hydroxysteroid dehydrogenase) ...Aldo/keto reductase familyAKR1C11645;Homo sapiens (Human)1.4850615
Q15139Serine/threonine-protein kinase D1 (EC 2.7.11.13) (Protein kinase C mu type) ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PKD subfamilyPRKD15587;Homo sapiens (Human)1.3331116
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.1854517
P52895Aldo-keto reductase family 1 member C2 (EC 1.-.-.-) (3-alpha-HSD3) (Chlordecone ...Aldo/keto reductase familyAKR1C21646;Homo sapiens (Human)1.1634818
Q9UEE5Serine/threonine-protein kinase 17A (EC 2.7.11.1) (DAP kinase-related apoptosis-inducing protein kinase ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, DAP kinase ...STK17A9263;Homo sapiens (Human)1.1548419
O43293Death-associated protein kinase 3 (DAP kinase 3) (EC 2.7.11.1) (DAP-like ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, DAP kinase ...DAPK31613;Homo sapiens (Human)1.0964720
P42574Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...Peptidase C14A familyCASP3836;Homo sapiens (Human)1.0950321
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)1.0837922
Q56UN5Mitogen-activated protein kinase kinase kinase 19 (EC 2.7.11.1) (Regulated in ...Protein kinase superfamily, STE Ser/Thr protein kinase family, STE20 subfamilyMAP3K1980122;Homo sapiens (Human)1.0790723
O94768Serine/threonine-protein kinase 17B (EC 2.7.11.1) (DAP kinase-related apoptosis-inducing protein kinase ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, DAP kinase ...STK17B9262;Homo sapiens (Human)1.0699424
Q02156Protein kinase C epsilon type (EC 2.7.11.13) (nPKC-epsilon)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCE5581;Homo sapiens (Human)1.0466525
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.0407126
Q13976cGMP-dependent protein kinase 1 (cGK 1) (cGK1) (EC 2.7.11.12) (cGMP-dependent ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, cGMP subfamilyPRKG15592;Homo sapiens (Human)1.012627
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.006228
Q9UIK4Death-associated protein kinase 2 (DAP kinase 2) (EC 2.7.11.1) (DAP-kinase-related ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, DAP kinase ...DAPK223604;Homo sapiens (Human)0.99698529
Q08881Tyrosine-protein kinase ITK/TSK (EC 2.7.10.2) (Interleukin-2-inducible T-cell kinase) (IL-2-inducible T-cell ...Protein kinase superfamily, Tyr protein kinase family, TEC subfamilyITK3702;Homo sapiens (Human)0.97774830
P42330Aldo-keto reductase family 1 member C3 (EC 1.-.-.-) (17-beta-hydroxysteroid dehydrogenase ...Aldo/keto reductase familyAKR1C38644;Homo sapiens (Human)0.95916831
Q15746Myosin light chain kinase, smooth muscle (MLCK) (smMLCK) (EC 2.7.11.18) ...Protein kinase superfamily, CAMK Ser/Thr protein kinase familyMYLK4638;Homo sapiens (Human)0.95754332
P10145Interleukin-8 (IL-8) (C-X-C motif chemokine 8) (Chemokine (C-X-C motif) ligand ...Intercrine alpha (chemokine CxC) familyCXCL83576;Homo sapiens (Human)0.91185833
Q04759Protein kinase C theta type (EC 2.7.11.13) (nPKC-theta)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCQ5588;Homo sapiens (Human)0.90656534
P52333Tyrosine-protein kinase JAK3 (EC 2.7.10.2) (Janus kinase 3) (JAK-3) (Leukocyte ...Protein kinase superfamily, Tyr protein kinase family, JAK subfamilyJAK33718;Homo sapiens (Human)0.90329235
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.89823936
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.8753437
Q16816Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform (PHK-gamma-M) ...Protein kinase superfamily, CAMK Ser/Thr protein kinase familyPHKG15260;Homo sapiens (Human)0.86209738
P51451Tyrosine-protein kinase Blk (EC 2.7.10.2) (B lymphocyte kinase) (p55-Blk)Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyBLK640;Homo sapiens (Human)0.85264739
P17612cAMP-dependent protein kinase catalytic subunit alpha (PKA C-alpha) (EC 2.7.11.11)Protein kinase superfamily, AGC Ser/Thr protein kinase family, cAMP subfamilyPRKACA5566;Homo sapiens (Human)0.84438240
Q00535Cyclin-dependent-like kinase 5 (EC 2.7.11.1) (Cell division protein kinase 5) ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK51020;Homo sapiens (Human)0.84386741
O60674Tyrosine-protein kinase JAK2 (EC 2.7.10.2) (Janus kinase 2) (JAK-2)Protein kinase superfamily, Tyr protein kinase family, JAK subfamilyJAK23717;Homo sapiens (Human)0.84269942
P00390Glutathione reductase, mitochondrial (GR) (GRase) (EC 1.8.1.7)Class-I pyridine nucleotide-disulfide oxidoreductase familyGSR2936;Homo sapiens (Human)0.81335343
P06493Cyclin-dependent kinase 1 (CDK1) (EC 2.7.11.22) (EC 2.7.11.23) (Cell division ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK1983;Homo sapiens (Human)0.80536144
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.7955745
Q05655Protein kinase C delta type (EC 2.7.11.13) (Tyrosine-protein kinase PRKCD) ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCD5580;Homo sapiens (Human)0.77790846
P08631Tyrosine-protein kinase HCK (EC 2.7.10.2) (Hematopoietic cell kinase) (Hemopoietic cell ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyHCK3055;Homo sapiens (Human)0.77221447
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.77176948
Q4U2R8Solute carrier family 22 member 6 (Organic anion transporter 1) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...SLC22A69356;Homo sapiens (Human)0.76887949
P51817cAMP-dependent protein kinase catalytic subunit PRKX (PrKX) (Protein kinase X) ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, cAMP subfamilyPRKX5613;Homo sapiens (Human)0.7674150
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.75541Known
Q9BYT3Serine/threonine-protein kinase 33 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, CaMK subfamilySTK3365975;Homo sapiens (Human)0.173158Known

[15] Untitled

Original SMILES:
COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O

Prepared SMILES:
COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O

P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.890331
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)2.854042
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438683
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)2.216764
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)2.152445
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.986316
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.95967
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.913948
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.912989
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.8062210
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)1.7368311
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.6990812
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.6329913
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.6283814
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.5296515
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.5203216
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.5047417
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.4272318
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.3797219
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3713220
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.3252721
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3084222
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.2781223
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.2572724
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.2471125
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)1.2466726
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)1.2008227
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.1519228
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)1.0942429
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.0913430
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.081731
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)1.0792832
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.0783433
O60930Ribonuclease H1 (RNase H1) (EC 3.1.26.4) (Ribonuclease H type II)RNase H familyRNASEH1246243;Homo sapiens (Human)1.0749834
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.0714435
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.0504936
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyTSHR7253;Homo sapiens (Human)1.0408737
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.0213538
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)0.90026439
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.8776440
P21918D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine ...G-protein coupled receptor 1 familyDRD51816;Homo sapiens (Human)0.86990541
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)0.84876842
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)0.83987943
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)0.83538744
Q13509Tubulin beta-3 chain (Tubulin beta-4 chain) (Tubulin beta-III)Tubulin familyTUBB310381;Homo sapiens (Human)0.80418345
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)0.80260846
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.80176847
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)0.80060848
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.79834249
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.79669650

[16] Untitled

Original SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O

Prepared SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O

P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.495921
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438682
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)2.346143
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)2.138514
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)2.124035
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.913946
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.912987
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.780638
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.753399
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.6329910
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.4700711
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.3871512
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3713213
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3281514
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.3112715
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.2705416
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)1.2491317
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.2428618
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.2236919
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)1.2021320
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.189921
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.1839622
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.1643823
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familySLCO1B110599;Homo sapiens (Human)1.1048924
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0959925
O60930Ribonuclease H1 (RNase H1) (EC 3.1.26.4) (Ribonuclease H type II)RNase H familyRNASEH1246243;Homo sapiens (Human)1.0749826
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)1.0716127
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)1.0674828
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.0404729
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.95821730
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.93568631
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.92875632
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.92399233
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)0.9182534
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.91048135
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.82400536
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)0.8088537
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)0.80593438
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)0.79995239
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)0.78985440
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)0.78724641
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.78223842
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.75432143
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.73274144
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.71939245
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.69779546
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)0.67316247
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.64999448
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.6398949
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)0.63862350

[17] Untitled

Original SMILES:
Oc1ccc(cc1O)/C=C/C(=O)c1ccc(c(c1O)O)O

Prepared SMILES:
Oc1ccc(cc1O)/C=C/C(=O)c1ccc(c(c1O)O)O

P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)3.116631
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)2.315482
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)2.234253
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)1.903944
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.851545
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.782796
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)1.486567
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.456248
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.282049
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)1.2793810
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2692611
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.2254512
P21964Catechol O-methyltransferase (EC 2.1.1.6)Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase familyCOMT1312;Homo sapiens (Human)1.1991813
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.1933214
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.1867415
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.1748216
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.1119817
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.0998218
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.0962319
P09884DNA polymerase alpha catalytic subunit (EC 2.7.7.7) (DNA polymerase alpha ...DNA polymerase type-B familyPOLA15422;Homo sapiens (Human)1.0809220
P16050Arachidonate 15-lipoxygenase (15-LOX) (15-LOX-1) (EC 1.13.11.33) (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) ...Lipoxygenase familyALOX15246;Homo sapiens (Human)1.077721
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.0613322
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)1.0150423
P37840Alpha-synuclein (Non-A beta component of AD amyloid) (Non-A4 component of ...Synuclein familySNCA6622;Homo sapiens (Human)1.0082324
O14746Telomerase reverse transcriptase (EC 2.7.7.49) (HEST2) (Telomerase catalytic subunit) (Telomerase-associated ...Reverse transcriptase family, Telomerase subfamilyTERT7015;Homo sapiens (Human)0.96534525
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.96431426
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.95603527
P11926Ornithine decarboxylase (ODC) (EC 4.1.1.17)Orn/Lys/Arg decarboxylase class-II familyODC14953;Homo sapiens (Human)0.95313928
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.95237229
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.93640630
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.93444931
Q86U86Protein polybromo-1 (hPB1) (BRG1-associated factor 180) (BAF180) (Polybromo-1D)PBRM155193;Homo sapiens (Human)0.92618432
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.90911533
P10415Apoptosis regulator Bcl-2Bcl-2 familyBCL2596;Homo sapiens (Human)0.89755834
Q07817Bcl-2-like protein 1 (Bcl2-L-1) (Apoptosis regulator Bcl-X)Bcl-2 familyBCL2L1598;Homo sapiens (Human)0.87173335
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.86853436
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.86752837
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.82560638
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.82467339
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.82381740
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)0.80995341
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.79006342
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.78296743
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)0.77988344
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)0.76984345
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.760746
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.75485947
Q9BY41Histone deacetylase 8 (HD8) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC855869;Homo sapiens (Human)0.7453248
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.74427549
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)0.74050950

[18] Untitled

Original SMILES:
COc1cccc2c1c(=O)c1c(o2)c(O)ccc1

Prepared SMILES:
COc1cccc2c1c(=O)c1c(o2)c(O)ccc1

P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.842681
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.526252
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.499653
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)2.409724
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.144065
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.099736
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)2.017177
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)2.003048
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.982389
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.89110
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)1.8797811
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)1.8220612
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.8156213
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.7944714
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)1.7463315
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.6894216
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.6272717
O60911Cathepsin L2 (EC 3.4.22.43) (Cathepsin U) (Cathepsin V)Peptidase C1 familyCTSV1515;Homo sapiens (Human)1.5908318
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.5191219
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.4856120
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.4535421
Q96C86m7GpppX diphosphatase (EC 3.6.1.59) (DCS-1) (Decapping scavenger enzyme) (Hint-related 7meGMP-directed ...HIT familyDCPS28960;Homo sapiens (Human)1.4208622
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.4203623
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.4135224
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)1.4085725
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.3660426
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)1.2707427
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.2029928
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)1.1727329
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.1619930
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.1550231
P50579Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation ...Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamilyMETAP210988;Homo sapiens (Human)1.1411432
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)1.1120433
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.0673534
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.0330935
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.0219336
Q9Y4C1Lysine-specific demethylase 3A (EC 1.14.11.-) (JmjC domain-containing histone demethylation protein ...JHDM2 histone demethylase familyKDM3A55818;Homo sapiens (Human)1.0085337
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.97638338
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...PARP1142;Homo sapiens (Human)0.96980239
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.96562540
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)0.96300541
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)0.96216142
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.94846843
P15559NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...NAD(P)H dehydrogenase (quinone) familyNQO11728;Homo sapiens (Human)0.92516644
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.92316245
Q9HC97G-protein coupled receptor 35 (Kynurenic acid receptor) (KYNA receptor)G-protein coupled receptor 1 familyGPR352859;Homo sapiens (Human)0.91521346
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)0.91009947
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)0.89969648
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.88554949
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)0.88500750

[19] Untitled

Original SMILES:
Oc1ccc(c(c1)O)C1COc2c(C1=O)c(O)cc(c2)O

Prepared SMILES:
Oc1ccc(c(c1)O)C1COc2c(C1=O)c(O)cc(c2)O

P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)3.599731
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)2.73342
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)2.504883
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438684
P30518Vasopressin V2 receptor (V2R) (AVPR V2) (Antidiuretic hormone receptor) (Renal-type ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyAVPR2554;Homo sapiens (Human)2.351925
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)2.346146
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)2.324447
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)2.245178
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)2.161749
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)2.1074610
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)2.0668311
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)2.0229612
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.9980513
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.9416314
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.9129815
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.9008216
O14842Free fatty acid receptor 1 (G-protein coupled receptor 40)G-protein coupled receptor 1 familyFFAR12864;Homo sapiens (Human)1.8559117
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.8389218
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.7606819
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.6014120
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.5965221
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.5589222
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.5029523
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.4972724
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.4634225
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.3624226
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3281527
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.2654128
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.2014629
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.198730
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.1954831
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)1.1831332
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.1697633
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.1682134
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.154535
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.134336
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)1.0723537
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.0223738
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)0.99778539
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.98924840
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.97439441
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)0.96087242
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.94666143
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)0.94317944
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)0.9140145
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)0.87808346
P30559Oxytocin receptor (OT-R)G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyOXTR5021;Homo sapiens (Human)0.85654747
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)0.83896648
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)0.83179849
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.82400550

[20] Untitled

Original SMILES:
Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O

Prepared SMILES:
Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O

Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.113161
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)3.053382
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.89034Known
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)2.54438Known
P14625Endoplasmin (94 kDa glucose-regulated protein) (GRP-94) (Heat shock protein 90 ...Heat shock protein 90 familyHSP90B17184;Homo sapiens (Human)2.490133
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438684
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)2.269485
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.976866
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.913947
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.912988
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.879979
Q12931Heat shock protein 75 kDa, mitochondrial (HSP 75) (TNFR-associated protein ...Heat shock protein 90 familyTRAP110131;Homo sapiens (Human)1.7781910
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.7134811
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.7126712
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.63299Known
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.49727Known
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.4971613
O75493Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ...Alpha-carbonic anhydrase familyCA11770;Homo sapiens (Human)1.4445914
Q58FG1Putative heat shock protein HSP 90-alpha A4 (Heat shock 90 ...Heat shock protein 90 familyHSP90AA4PHomo sapiens (Human)1.4355715
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3713216
P08183Multidrug resistance protein 1 (EC 7.6.2.2) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...ABCB15243;Homo sapiens (Human)1.2579117
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.1468818
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0959919
O75608Acyl-protein thioesterase 1 (APT-1) (hAPT1) (EC 3.1.2.-) (Lysophospholipase 1) (Lysophospholipase ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA110434;Homo sapiens (Human)0.93932120
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)0.91576521
P60568Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin)IL-2 familyIL23558;Homo sapiens (Human)0.90688422
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.824005Known
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.81863223
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.81788224
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)0.79683425
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.79314326
Q15119[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (EC 2.7.11.2) (Pyruvate ...PDK/BCKDK protein kinase familyPDK25164;Homo sapiens (Human)0.78236227
O95372Acyl-protein thioesterase 2 (APT-2) (EC 3.1.2.-) (Lysophospholipase II) (LPL-II) (LysoPLA ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA211313;Homo sapiens (Human)0.76300328
P05091Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI)Aldehyde dehydrogenase familyALDH2217;Homo sapiens (Human)0.73363329
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.73198830
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.71966231
P19224UDP-glucuronosyltransferase 1-6 (UDPGT 1-6) (UGT1*6) (UGT1-06) (UGT1.6) (EC 2.4.1.17) (Phenol-metabolizing ...UDP-glycosyltransferase familyUGT1A654578;Homo sapiens (Human)0.71341432
P22310UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A454657;Homo sapiens (Human)0.67081233
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.66883934
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.62999335
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)0.62883436
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.61890137
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)0.59814738
P33527Multidrug resistance-associated protein 1 (ATP-binding cassette sub-family C member 1) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC14363;Homo sapiens (Human)0.58864139
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)0.58512840
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.58215641
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.58156942
P09488Glutathione S-transferase Mu 1 (EC 2.5.1.18) (GST HB subunit 4) ...GST superfamily, Mu familyGSTM12944;Homo sapiens (Human)0.55704843
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.55577944
P28715DNA repair protein complementing XP-G cells (EC 3.1.-.-) (DNA excision ...XPG/RAD2 endonuclease family, XPG subfamilyERCC52073;Homo sapiens (Human)0.53569145
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.53340646
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)0.53274947
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)0.53049748
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.52518849
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.50926650

[21] Untitled

Original SMILES:
Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O

Prepared SMILES:
Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O

P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)2.32558Known
O75493Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ...Alpha-carbonic anhydrase familyCA11770;Homo sapiens (Human)2.278061
P42336Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3-kinase subunit alpha) ...PI3/PI4-kinase familyPIK3CA5290;Homo sapiens (Human)2.08474Known
Q6UVM3Potassium channel subfamily T member 2 (Sequence like an intermediate ...Potassium channel family, Calcium-activated (TC 1.A.1.3) subfamily, KCa4.2/KCNT2 sub-subfamilyKCNT2343450;Homo sapiens (Human)2.017642
P12104Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP22169;Homo sapiens (Human)2.010533
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.984874
O00329Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3-kinase subunit delta) ...PI3/PI4-kinase familyPIK3CD5293;Homo sapiens (Human)1.874145
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.799486
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.749197
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.679318
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.658669
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.60824Known
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.5529310
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.5293211
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.47545Known
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.4723412
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.4235113
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.3604814
P48736Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (PI3-kinase subunit gamma) ...PI3/PI4-kinase familyPIK3CG5294;Homo sapiens (Human)1.3316915
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)1.3154916
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.303817
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)1.2977618
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.2828119
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.26926Known
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)1.2466120
P51878Caspase-5 (CASP-5) (EC 3.4.22.58) (ICE(rel)-III) (Protease ICH-3) (Protease TY) [Cleaved ...Peptidase C14A familyCASP5838;Homo sapiens (Human)1.225421
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)1.2074522
P49662Caspase-4 (CASP-4) (EC 3.4.22.57) (ICE and Ced-3 homolog 2) (ICH-2) ...Peptidase C14A familyCASP4837;Homo sapiens (Human)1.2022723
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.18545Known
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.1586224
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.1575725
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.1538826
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.1499627
P42338Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3-kinase subunit beta) ...PI3/PI4-kinase familyPIK3CB5291;Homo sapiens (Human)1.14855Known
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.0960928
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.0850429
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.0674230
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyFEN12237;Homo sapiens (Human)1.064631
P40225Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ...EPO/TPO familyTHPO7066;Homo sapiens (Human)1.0302632
O00750Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (PI3K-C2-beta) (PtdIns-3-kinase C2 ...PI3/PI4-kinase familyPIK3C2B5287;Homo sapiens (Human)1.014333
Q9GZV3High affinity choline transporter 1 (Hemicholinium-3-sensitive choline transporter) (CHT) (Solute ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A760482;Homo sapiens (Human)1.0113134
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.0075135
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.00573Known
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)1.0010836
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.99090637
Q9NZ45CDGSH iron-sulfur domain-containing protein 1 (MitoNEET)CISD protein familyCISD155847;Homo sapiens (Human)0.96865638
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.96125939
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.96062740
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)0.9548341
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.9308942
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)0.92717943
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)0.899747Known
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)0.89836544
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.88749845
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.887155Known
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.878392Known
Q03181Peroxisome proliferator-activated receptor delta (PPAR-delta) (NUCI) (Nuclear hormone receptor 1) ...Nuclear hormone receptor family, NR1 subfamilyPPARD5467;Homo sapiens (Human)0.85746846
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)0.85552247
Q04206Transcription factor p65 (Nuclear factor NF-kappa-B p65 subunit) (Nuclear factor ...RELA5970;Homo sapiens (Human)0.849915Known
O75608Acyl-protein thioesterase 1 (APT-1) (hAPT1) (EC 3.1.2.-) (Lysophospholipase 1) (Lysophospholipase ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA110434;Homo sapiens (Human)0.83547248
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)0.83458649
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyTSHR7253;Homo sapiens (Human)0.82982950
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.82941Known
Q8N1Q1Carbonic anhydrase 13 (EC 4.2.1.1) (Carbonate dehydratase XIII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA13377677;Homo sapiens (Human)0.752599Known
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)0.745846Known
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.718878Known
O75762Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ...Transient receptor (TC 1.A.4) familyTRPA18989;Homo sapiens (Human)0.649397Known
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.630465Known
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)0.553373Known
P04637Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ...P53 familyTP537157;Homo sapiens (Human)0.493748Known
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.488842Known
P02766Transthyretin (ATTR) (Prealbumin) (TBPA)Transthyretin familyTTR7276;Homo sapiens (Human)0.48512Known
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)0.446497Known
P42858Huntingtin (Huntington disease protein) (HD protein)Huntingtin familyHTT3064;Homo sapiens (Human)0.4375Known
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.401974Known
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.38072Known
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.380718Known
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)0.379466Known
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)0.292Known
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyATAD579915;Homo sapiens (Human)0.255119Known
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.247257Known
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.226615Known
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.226225Known
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.203403Known
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)0.178066Known
P07451Carbonic anhydrase 3 (EC 4.2.1.1) (Carbonate dehydratase III) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA3761;Homo sapiens (Human)0.12177Known

[22] Untitled

Original SMILES:
Oc1ccc(c(c1)O)c1coc2c(c1=O)ccc(c2)O

Prepared SMILES:
Oc1ccc(c(c1)O)c1coc2c(c1=O)ccc(c2)O

P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)2.67191
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)2.522092
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)2.386613
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.293524
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.250385
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.041236
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.038187
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.996998
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)1.903949
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.7878510
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)1.7872711
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.7715412
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.6337413
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.6091914
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.3905715
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.3904216
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.2773117
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.2581118
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.2372319
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.2131520
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.1689821
P49763Placenta growth factor (PlGF)PDGF/VEGF growth factor familyPGF5228;Homo sapiens (Human)1.0898122
P05091Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI)Aldehyde dehydrogenase familyALDH2217;Homo sapiens (Human)1.0783423
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)1.0754524
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.0690125
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0172326
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.9958927
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.99546628
P42224Signal transducer and activator of transcription 1-alpha/beta (Transcription factor ISGF-3 ...Transcription factor STAT familySTAT16772;Homo sapiens (Human)0.98795829
P60568Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin)IL-2 familyIL23558;Homo sapiens (Human)0.98498230
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)0.95198731
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)0.91448532
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.91053633
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)0.89233434
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.87691235
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.85499436
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.84442237
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)0.84166338
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.83915239
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)0.80040940
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.79709541
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.7657542
P47712Cytosolic phospholipase A2 (cPLA2) (Phospholipase A2 group IVA) [Includes: Phospholipase ...PLA2G4A5321;Homo sapiens (Human)0.7583743
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.75303544
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.74318545
P14174Macrophage migration inhibitory factor (MIF) (EC 5.3.2.1) (Glycosylation-inhibiting factor) (GIF) ...MIF familyMIF4282;Homo sapiens (Human)0.73681546
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)0.73052347
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.71097248
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)0.71026649
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)0.65826550

[23] Untitled

Original SMILES:
Oc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)O)O

Prepared SMILES:
Oc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)O)O

P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)3.021121
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.830092
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)2.393863
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.2034
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)2.183255
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.971876
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.962287
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)1.903948
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.869419
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)1.8153310
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.7923811
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.7886212
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.7054313
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.6595914
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.5189115
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)1.489116
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.4807417
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.4528418
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)1.3393619
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.2037620
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.1332321
P42224Signal transducer and activator of transcription 1-alpha/beta (Transcription factor ISGF-3 ...Transcription factor STAT familySTAT16772;Homo sapiens (Human)1.1330922
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.1291123
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.1031724
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.0958525
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0936726
P05091Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI)Aldehyde dehydrogenase familyALDH2217;Homo sapiens (Human)1.0783427
P60568Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin)IL-2 familyIL23558;Homo sapiens (Human)0.98498228
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)0.97451729
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.96768230
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.96029731
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)0.95883732
P21918D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine ...G-protein coupled receptor 1 familyDRD51816;Homo sapiens (Human)0.92693933
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)0.91669534
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.91053635
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)0.89233436
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.89012437
P42336Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3-kinase subunit alpha) ...PI3/PI4-kinase familyPIK3CA5290;Homo sapiens (Human)0.8809438
P47712Cytosolic phospholipase A2 (cPLA2) (Phospholipase A2 group IVA) [Includes: Phospholipase ...PLA2G4A5321;Homo sapiens (Human)0.87841939
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.87828340
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.86955441
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.84506742
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)0.82491843
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)0.82474844
O00329Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3-kinase subunit delta) ...PI3/PI4-kinase familyPIK3CD5293;Homo sapiens (Human)0.82399245
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyKIF113832;Homo sapiens (Human)0.78719346
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.77028847
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)0.76648748
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.7657549
P14174Macrophage migration inhibitory factor (MIF) (EC 5.3.2.1) (Glycosylation-inhibiting factor) (GIF) ...MIF familyMIF4282;Homo sapiens (Human)0.73681550

[24] Untitled

Original SMILES:
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)C

Prepared SMILES:
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)C

P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)4.098141
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)3.68762
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)3.221263
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)3.048534
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.764855
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)2.680316
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)2.637047
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)2.536788
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.460449
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)2.4493910
Q15393Splicing factor 3B subunit 3 (Pre-mRNA-splicing factor SF3b 130 kDa ...RSE1 familySF3B323450;Homo sapiens (Human)2.3476811
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)2.3270412
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)2.2387913
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)2.1088814
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)1.9638915
Q86Y34Adhesion G protein-coupled receptor G3 (G-protein coupled receptor 97) (G-protein ...G-protein coupled receptor 2 family, Adhesion G-protein coupled receptor (ADGR) ...ADGRG3222487;Homo sapiens (Human)1.8918416
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)1.6701517
Q13258Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)G-protein coupled receptor 1 familyPTGDR5729;Homo sapiens (Human)1.6397618
P35414Apelin receptor (Angiotensin receptor-like 1) (G-protein coupled receptor APJ) (G-protein ...G-protein coupled receptor 1 familyAPLNR187;Homo sapiens (Human)1.5779419
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.5263520
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...HIF1A3091;Homo sapiens (Human)1.5161721
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.5102522
P42336Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3-kinase subunit alpha) ...PI3/PI4-kinase familyPIK3CA5290;Homo sapiens (Human)1.4857323
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)1.4679624
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.4434325
Q99685Monoglyceride lipase (MGL) (EC 3.1.1.23) (HU-K5) (Lysophospholipase homolog) (Lysophospholipase-like) (Monoacylglycerol ...AB hydrolase superfamily, Monoacylglycerol lipase familyMGLL11343;Homo sapiens (Human)1.4099126
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)1.390827
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.3817428
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)1.3741929
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familySERPINA6866;Homo sapiens (Human)1.3657430
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.3256131
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.2648832
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)1.2500733
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.2459534
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)1.2280435
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.1870336
Q9ULY5C-type lectin domain family 4 member E (C-type lectin superfamily ...CLEC4E26253;Homo sapiens (Human)1.1851537
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.1577738
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.1516939
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.1203940
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)1.0948941
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.0936342
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.0801643
P25105Platelet-activating factor receptor (PAF-R) (PAFr)G-protein coupled receptor 1 familyPTAFR5724;Homo sapiens (Human)1.0651744
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)1.0638745
P17252Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCA5578;Homo sapiens (Human)1.0398246
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.0288347
P312133-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...Steroid 5-alpha reductase familySRD5A26716;Homo sapiens (Human)1.0181748
P25116Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)G-protein coupled receptor 1 familyF2R2149;Homo sapiens (Human)1.008949
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)1.0040950

[25] Untitled

Original SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O

Prepared SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O

Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)3.73141Known
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)3.683561
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.64754Known
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.46189Known
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)3.154212
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)3.03421Known
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)3.0063Known
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)2.65898Known
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...ADAM176868;Homo sapiens (Human)2.480513
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)2.454724
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.370225
P12931Proto-oncogene tyrosine-protein kinase Src (EC 2.7.10.2) (Proto-oncogene c-Src) (pp60c-src) (p60-Src)Protein kinase superfamily, Tyr protein kinase family, SRC subfamilySRC6714;Homo sapiens (Human)2.23925Known
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.21289Known
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.2036
P08069Insulin-like growth factor 1 receptor (EC 2.7.10.1) (Insulin-like growth factor ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyIGF1R3480;Homo sapiens (Human)2.15214Known
P27986Phosphatidylinositol 3-kinase regulatory subunit alpha (PI3-kinase regulatory subunit alpha) (PI3K ...PI3K p85 subunit familyPIK3R15295;Homo sapiens (Human)2.1412Known
P25024C-X-C chemokine receptor type 1 (CXC-R1) (CXCR-1) (CDw128a) (High affinity ...G-protein coupled receptor 1 familyCXCR13577;Homo sapiens (Human)2.0901Known
P39900Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix ...Peptidase M10A familyMMP124321;Homo sapiens (Human)2.059597
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.97334Known
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)1.90503Known
P31749RAC-alpha serine/threonine-protein kinase (EC 2.7.11.1) (Protein kinase B) (PKB) (Protein ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, RAC subfamilyAKT1207;Homo sapiens (Human)1.88572Known
P48736Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (PI3-kinase subunit gamma) ...PI3/PI4-kinase familyPIK3CG5294;Homo sapiens (Human)1.8555Known
P02766Transthyretin (ATTR) (Prealbumin) (TBPA)Transthyretin familyTTR7276;Homo sapiens (Human)1.835248
P07949Proto-oncogene tyrosine-protein kinase receptor Ret (EC 2.7.10.1) (Cadherin family member ...Protein kinase superfamily, Tyr protein kinase familyRET5979;Homo sapiens (Human)1.816599
P42336Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3-kinase subunit alpha) ...PI3/PI4-kinase familyPIK3CA5290;Homo sapiens (Human)1.7980610
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.78611
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)1.72396Known
P06213Insulin receptor (IR) (EC 2.7.10.1) (CD antigen CD220) [Cleaved into: ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyINSR3643;Homo sapiens (Human)1.6220612
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.61542Known
O00329Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3-kinase subunit delta) ...PI3/PI4-kinase familyPIK3CD5293;Homo sapiens (Human)1.5881813
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.5711614
P42338Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3-kinase subunit beta) ...PI3/PI4-kinase familyPIK3CB5291;Homo sapiens (Human)1.5258315
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.5119316
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)1.5110117
P25025C-X-C chemokine receptor type 2 (CXC-R2) (CXCR-2) (CDw128b) (GRO/MGSA receptor) ...G-protein coupled receptor 1 familyCXCR23579;Homo sapiens (Human)1.5011918
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)1.4918419
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)1.46268Known
P24941Cyclin-dependent kinase 2 (EC 2.7.11.22) (Cell division protein kinase 2) ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK21017;Homo sapiens (Human)1.4568720
P11309Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamilyPIM15292;Homo sapiens (Human)1.41737Known
P06493Cyclin-dependent kinase 1 (CDK1) (EC 2.7.11.22) (EC 2.7.11.23) (Cell division ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK1983;Homo sapiens (Human)1.39321Known
P21918D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine ...G-protein coupled receptor 1 familyDRD51816;Homo sapiens (Human)1.3826121
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.3661822
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)1.3623623
P08581Hepatocyte growth factor receptor (HGF receptor) (EC 2.7.10.1) (HGF/SF receptor) ...Protein kinase superfamily, Tyr protein kinase familyMET4233;Homo sapiens (Human)1.35993Known
Q9UM73ALK tyrosine kinase receptor (EC 2.7.10.1) (Anaplastic lymphoma kinase) (CD ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyALK238;Homo sapiens (Human)1.33532Known
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.3258424
P09237Matrilysin (EC 3.4.24.23) (Matrin) (Matrix metalloproteinase-7) (MMP-7) (Pump-1 protease) (Uterine ...Peptidase M10A familyMMP74316;Homo sapiens (Human)1.2737725
P06737Glycogen phosphorylase, liver form (EC 2.4.1.1)Glycogen phosphorylase familyPYGL5836;Homo sapiens (Human)1.26404Known
Q9Y468Lethal(3)malignant brain tumor-like protein 1 (H-l(3)mbt) (H-l(3)mbt protein) (L(3)mbt-like) (L(3)mbt ...L3MBTL126013;Homo sapiens (Human)1.262226
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)1.23861Known
P17948Vascular endothelial growth factor receptor 1 (VEGFR-1) (EC 2.7.10.1) (Fms-like ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyFLT12321;Homo sapiens (Human)1.2347727
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyMMP24313;Homo sapiens (Human)1.23353Known
P29371Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ...G-protein coupled receptor 1 familyTACR36870;Homo sapiens (Human)1.223528
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.2113329
P50750Cyclin-dependent kinase 9 (EC 2.7.11.22) (EC 2.7.11.23) (C-2K) (Cell division ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK91025;Homo sapiens (Human)1.2021630
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.18687Known
P10721Mast/stem cell growth factor receptor Kit (SCFR) (EC 2.7.10.1) (Piebald ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKIT3815;Homo sapiens (Human)1.1819131
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.177932
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyMMP94318;Homo sapiens (Human)1.16947Known
Q04912Macrophage-stimulating protein receptor (MSP receptor) (EC 2.7.10.1) (CDw136) (Protein-tyrosine kinase ...Protein kinase superfamily, Tyr protein kinase familyMST1R4486;Homo sapiens (Human)1.1664633
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.16041Known
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)1.15708Known
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.1209434
P42345Serine/threonine-protein kinase mTOR (EC 2.7.11.1) (FK506-binding protein 12-rapamycin complex-associated protein ...PI3/PI4-kinase familyMTOR2475;Homo sapiens (Human)1.1143335
P53355Death-associated protein kinase 1 (DAP kinase 1) (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, DAP kinase ...DAPK11612;Homo sapiens (Human)1.11197Known
P07202Thyroid peroxidase (TPO) (EC 1.11.1.8)Peroxidase family, XPO subfamilyTPO7173;Homo sapiens (Human)1.1041736
P18054Arachidonate 12-lipoxygenase, 12S-type (12S-LOX) (12S-lipoxygenase) (EC 1.13.11.31) (Lipoxin synthase 12-LO) ...Lipoxygenase familyALOX12239;Homo sapiens (Human)1.10282Known
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)1.0997337
P08254Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1)Peptidase M10A familyMMP34314;Homo sapiens (Human)1.09942Known
P22894Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)Peptidase M10A familyMMP84317;Homo sapiens (Human)1.0797838
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.0562339
O15296Arachidonate 15-lipoxygenase B (15-LOX-B) (EC 1.13.11.33) (15-lipoxygenase 2) (15-LOX-2) (Arachidonate ...Lipoxygenase familyALOX15B247;Homo sapiens (Human)1.0496940
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)1.0470341
O00459Phosphatidylinositol 3-kinase regulatory subunit beta (PI3-kinase regulatory subunit beta) (PI3K ...PI3K p85 subunit familyPIK3R25296;Homo sapiens (Human)1.0384542
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)1.03128Known
P07948Tyrosine-protein kinase Lyn (EC 2.7.10.2) (Lck/Yes-related novel protein tyrosine kinase) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLYN4067;Homo sapiens (Human)1.0276143
Q9NPH5NADPH oxidase 4 (EC 1.6.3.-) (Kidney oxidase-1) (KOX-1) (Kidney superoxide-producing ...NOX450507;Homo sapiens (Human)1.02645Known
Q14576ELAV-like protein 3 (Hu-antigen C) (HuC) (Paraneoplastic cerebellar degeneration-associated antigen) ...RRM elav familyELAVL31995;Homo sapiens (Human)0.988859Known
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.98368544
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.97576545
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.973921Known
Q6UVM3Potassium channel subfamily T member 2 (Sequence like an intermediate ...Potassium channel family, Calcium-activated (TC 1.A.1.3) subfamily, KCa4.2/KCNT2 sub-subfamilyKCNT2343450;Homo sapiens (Human)0.97160846
Q96S37Solute carrier family 22 member 12 (Organic anion transporter 4-like ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...SLC22A12116085;Homo sapiens (Human)0.96691947
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.958647Known
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)0.956192Known
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)0.95219548
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...TNKS8658;Homo sapiens (Human)0.95208149
Q9H2K2Poly [ADP-ribose] polymerase tankyrase-2 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 6) ...TNKS280351;Homo sapiens (Human)0.9502250
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.940069Known
P36888Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) (FL cytokine receptor) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyFLT32322;Homo sapiens (Human)0.929174Known
P68400Casein kinase II subunit alpha (CK II alpha) (EC 2.7.11.1)Protein kinase superfamily, Ser/Thr protein kinase family, CK2 subfamilyCSNK2A11457;Homo sapiens (Human)0.92716Known
P51955Serine/threonine-protein kinase Nek2 (EC 2.7.11.1) (HSPK 21) (Never in mitosis ...Protein kinase superfamily, NEK Ser/Thr protein kinase family, NIMA subfamilyNEK24751;Homo sapiens (Human)0.917824Known
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.890496Known
Q05397Focal adhesion kinase 1 (FADK 1) (EC 2.7.10.2) (Focal adhesion ...Protein kinase superfamily, Tyr protein kinase family, FAK subfamilyPTK25747;Homo sapiens (Human)0.879538Known
Q15717ELAV-like protein 1 (Hu-antigen R) (HuR)RRM elav familyELAVL11994;Homo sapiens (Human)0.853872Known
P49841Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamilyGSK3B2932;Homo sapiens (Human)0.845201Known
P30530Tyrosine-protein kinase receptor UFO (EC 2.7.10.1) (AXL oncogene)Protein kinase superfamily, Tyr protein kinase family, AXL/UFO subfamilyAXL558;Homo sapiens (Human)0.843951Known
Q9HC98Serine/threonine-protein kinase Nek6 (EC 2.7.11.1) (Never in mitosis A-related kinase ...Protein kinase superfamily, NEK Ser/Thr protein kinase family, NIMA subfamilyNEK610783;Homo sapiens (Human)0.831634Known
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.819428Known
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)0.76176Known
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.743185Known
Q14191Werner syndrome ATP-dependent helicase (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyWRN7486;Homo sapiens (Human)0.711532Known
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.684471Known
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.653675Known
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyGLO12739;Homo sapiens (Human)0.645354Known
P16050Arachidonate 15-lipoxygenase (15-LOX) (15-LOX-1) (EC 1.13.11.33) (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) ...Lipoxygenase familyALOX15246;Homo sapiens (Human)0.628119Known
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...HIF1A3091;Homo sapiens (Human)0.612503Known
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)0.604862Known
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.589175Known
Q9Y253DNA polymerase eta (EC 2.7.7.7) (RAD30 homolog A) (Xeroderma pigmentosum ...DNA polymerase type-Y familyPOLH5429;Homo sapiens (Human)0.556126Known
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)0.522669Known
P05164Myeloperoxidase (MPO) (EC 1.11.2.2) [Cleaved into: Myeloperoxidase; 89 kDa myeloperoxidase; ...Peroxidase family, XPO subfamilyMPO4353;Homo sapiens (Human)0.522167Known
P46063ATP-dependent DNA helicase Q1 (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyRECQL5965;Homo sapiens (Human)0.517707Known
Q16512Serine/threonine-protein kinase N1 (EC 2.7.11.13) (Protease-activated kinase 1) (PAK-1) (Protein ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPKN15585;Homo sapiens (Human)0.504147Known
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.50094Known
P10632Cytochrome P450 2C8 (EC 1.14.14.1) (CYPIIC8) (Cytochrome P450 IIC2) (Cytochrome ...Cytochrome P450 familyCYP2C81558;Homo sapiens (Human)0.488298Known
Q9HC97G-protein coupled receptor 35 (Kynurenic acid receptor) (KYNA receptor)G-protein coupled receptor 1 familyGPR352859;Homo sapiens (Human)0.487121Known
O60285NUAK family SNF1-like kinase 1 (EC 2.7.11.1) (AMPK-related protein kinase ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, SNF1 subfamilyNUAK19891;Homo sapiens (Human)0.479451Known
P54132Bloom syndrome protein (EC 3.6.4.12) (DNA helicase, RecQ-like type 2) ...Helicase family, RecQ subfamilyBLM641;Homo sapiens (Human)0.464751Known
Q9UNA4DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B)DNA polymerase type-Y familyPOLI11201;Homo sapiens (Human)0.450205Known
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.440482Known
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyFEN12237;Homo sapiens (Human)0.419446Known
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)MAPT4137;Homo sapiens (Human)0.407288Known
P19838Nuclear factor NF-kappa-B p105 subunit (DNA-binding factor KBF1) (EBP-1) (Nuclear ...NFKB14790;Homo sapiens (Human)0.390287Known
P33527Multidrug resistance-associated protein 1 (ATP-binding cassette sub-family C member 1) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC14363;Homo sapiens (Human)0.38111Known
P04054Phospholipase A2 (EC 3.1.1.4) (Group IB phospholipase A2) (Phosphatidylcholine 2-acylhydrolase ...Phospholipase A2 familyPLA2G1B5319;Homo sapiens (Human)0.373699Known
B2RXH2Lysine-specific demethylase 4E (EC 1.14.11.-) (KDM4D-like protein) (Lysine-specific demethylase 4D-like)JHDM3 histone demethylase familyKDM4E390245;Homo sapiens (Human)0.362222Known
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.328662Known
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.276916Known
Q13554Calcium/calmodulin-dependent protein kinase type II subunit beta (CaM kinase II ...Protein kinase superfamily, CAMK Ser/Thr protein kinase family, CaMK subfamilyCAMK2B816;Homo sapiens (Human)0.267607Known
P07451Carbonic anhydrase 3 (EC 4.2.1.1) (Carbonate dehydratase III) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA3761;Homo sapiens (Human)0.249537Known
P08183Multidrug resistance protein 1 (EC 7.6.2.2) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...ABCB15243;Homo sapiens (Human)0.225004Known
Q9UNQ0ATP-binding cassette sub-family G member 2 (Breast cancer resistance protein) ...ABC transporter superfamily, ABCG family, Eye pigment precursor importer (TC ...ABCG29429;Homo sapiens (Human)0.206857Known
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.042781Known

[26] Untitled

Original SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1c(O)cccc1O

Prepared SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1c(O)cccc1O

Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)3.731411
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.644242
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.328593
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)2.988024
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)2.733955
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)2.658986
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.370227
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.2038
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)2.096069
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.5711610
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)1.4918411
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)1.4626812
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.4330413
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.3923214
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.3724615
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.3637816
P11309Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamilyPIM15292;Homo sapiens (Human)1.2921117
P29371Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ...G-protein coupled receptor 1 familyTACR36870;Homo sapiens (Human)1.2673318
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.2248719
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.1868720
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.1604121
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)1.1200322
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.1080923
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.0924924
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)1.0836725
P49763Placenta growth factor (PlGF)PDGF/VEGF growth factor familyPGF5228;Homo sapiens (Human)1.034826
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)1.0207627
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.99188628
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.97392129
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.91500130
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.84243531
O76074cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)Cyclic nucleotide phosphodiesterase familyPDE5A8654;Homo sapiens (Human)0.8348832
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.83427633
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.79135234
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)0.78885235
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.78464836
P0DMV8Heat shock 70 kDa protein 1A (Heat shock 70 kDa ...Heat shock protein 70 familyHSPA1A3303;3304;Homo sapiens (Human)0.76858837
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.7657538
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.75153639
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.74318540
P05091Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI)Aldehyde dehydrogenase familyALDH2217;Homo sapiens (Human)0.72613841
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.72132842
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.72019443
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.67797644
P18031Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ...Protein-tyrosine phosphatase family, Non-receptor class 1 subfamilyPTPN15770;Homo sapiens (Human)0.65312445
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)0.64293646
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)0.63935547
P15559NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...NAD(P)H dehydrogenase (quinone) familyNQO11728;Homo sapiens (Human)0.63237448
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.62906749
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.61618650

[27] Untitled

Original SMILES:
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

Prepared SMILES:
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.268081
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.103762
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.89033Known
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)2.68074Known
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)2.54438Known
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.438683
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)2.225144
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)2.152445
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)2.107366
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.966927
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.913948
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.912989
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.63299Known
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)1.3940110
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3713211
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.28912
P08183Multidrug resistance protein 1 (EC 7.6.2.2) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...ABCB15243;Homo sapiens (Human)1.2294513
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)1.1814814
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.1776415
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.1522716
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.09134Known
P22310UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A454657;Homo sapiens (Human)0.98799417
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.97450618
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.95453419
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.94077620
P19224UDP-glucuronosyltransferase 1-6 (UDPGT 1-6) (UGT1*6) (UGT1-06) (UGT1.6) (EC 2.4.1.17) (Phenol-metabolizing ...UDP-glycosyltransferase familyUGT1A654578;Homo sapiens (Human)0.91653921
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)0.91576522
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.89729723
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.89500524
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.8880525
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.88261526
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.85943527
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.79438728
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.78698229
P09488Glutathione S-transferase Mu 1 (EC 2.5.1.18) (GST HB subunit 4) ...GST superfamily, Mu familyGSTM12944;Homo sapiens (Human)0.75696230
P07202Thyroid peroxidase (TPO) (EC 1.11.1.8)Peroxidase family, XPO subfamilyTPO7173;Homo sapiens (Human)0.74018931
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.73357232
O75493Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ...Alpha-carbonic anhydrase familyCA11770;Homo sapiens (Human)0.70907633
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)0.70257234
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.69652235
P33527Multidrug resistance-associated protein 1 (ATP-binding cassette sub-family C member 1) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC14363;Homo sapiens (Human)0.69630336
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.69288737
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)0.68655338
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.68572839
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)0.68431240
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.67202841
Q15759Mitogen-activated protein kinase 11 (MAP kinase 11) (MAPK 11) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK115600;Homo sapiens (Human)0.66411342
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.64243643
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.63989Known
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)0.63818144
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)0.63670545
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)0.61270546
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyTSHR7253;Homo sapiens (Human)0.60932247
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)0.59624548
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)0.59590549
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.582156Known
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)0.57739550
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.474999Known
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...HIF1A3091;Homo sapiens (Human)0.450004Known

[28] Untitled

Original SMILES:
Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O

Prepared SMILES:
Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O

P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)3.116631
P49763Placenta growth factor (PlGF)PDGF/VEGF growth factor familyPGF5228;Homo sapiens (Human)3.086192
P00797Renin (EC 3.4.23.15) (Angiotensinogenase)Peptidase A1 familyREN5972;Homo sapiens (Human)2.842253
Q9Y5Z0Beta-secretase 2 (EC 3.4.23.45) (Aspartic-like protease 56 kDa) (Aspartyl protease ...Peptidase A1 familyBACE225825;Homo sapiens (Human)2.571424
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)2.565215
P15692Vascular endothelial growth factor A (VEGF-A) (Vascular permeability factor) (VPF)PDGF/VEGF growth factor familyVEGFA7422;Homo sapiens (Human)2.559976
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.256557
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)2.13546Known
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.936748
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.854759
P07339Cathepsin D (EC 3.4.23.5) [Cleaved into: Cathepsin D light chain; ...Peptidase A1 familyCTSD1509;Homo sapiens (Human)1.8002110
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.5348211
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)1.4209912
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.3617513
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.3523314
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2692615
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)1.2551916
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)1.1649717
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.1495118
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.0678319
P48736Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (PI3-kinase subunit gamma) ...PI3/PI4-kinase familyPIK3CG5294;Homo sapiens (Human)0.96205320
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.96063521
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)0.95547622
P11926Ornithine decarboxylase (ODC) (EC 4.1.1.17)Orn/Lys/Arg decarboxylase class-II familyODC14953;Homo sapiens (Human)0.95313923
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.93796324
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.89771525
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.87951526
P42224Signal transducer and activator of transcription 1-alpha/beta (Transcription factor ISGF-3 ...Transcription factor STAT familySTAT16772;Homo sapiens (Human)0.87385227
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.86717628
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.84149229
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.80665930
Q14576ELAV-like protein 3 (Hu-antigen C) (HuC) (Paraneoplastic cerebellar degeneration-associated antigen) ...RRM elav familyELAVL31995;Homo sapiens (Human)0.7973731
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)0.78908832
O14746Telomerase reverse transcriptase (EC 2.7.7.49) (HEST2) (Telomerase catalytic subunit) (Telomerase-associated ...Reverse transcriptase family, Telomerase subfamilyTERT7015;Homo sapiens (Human)0.77349133
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)0.75739434
P51993Alpha-(1,3)-fucosyltransferase 6 (EC 2.4.1.65) (Fucosyltransferase 6) (Fucosyltransferase VI) (Fuc-TVI) (FucT-VI) ...Glycosyltransferase 10 familyFUT62528;Homo sapiens (Human)0.72517535
O00329Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3-kinase subunit delta) ...PI3/PI4-kinase familyPIK3CD5293;Homo sapiens (Human)0.7190436
P42336Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3-kinase subunit alpha) ...PI3/PI4-kinase familyPIK3CA5290;Homo sapiens (Human)0.71742937
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)0.71204938
P08631Tyrosine-protein kinase HCK (EC 2.7.10.2) (Hematopoietic cell kinase) (Hemopoietic cell ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyHCK3055;Homo sapiens (Human)0.70835439
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.70632340
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)0.70294341
P09211Glutathione S-transferase P (EC 2.5.1.18) (GST class-pi) (GSTP1-1)GST superfamily, Pi familyGSTP12950;Homo sapiens (Human)0.69957542
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.69476943
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)0.68766744
P21964Catechol O-methyltransferase (EC 2.1.1.6)Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase familyCOMT1312;Homo sapiens (Human)0.68758845
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.68343946
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)0.6796547
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.66761948
P42338Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3-kinase subunit beta) ...PI3/PI4-kinase familyPIK3CB5291;Homo sapiens (Human)0.66731149
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)0.66532850

[29] Untitled

Original SMILES:
Oc1ccc(cc1)/C=C/C(=O)c1c(O)cc(cc1O)O

Prepared SMILES:
Oc1ccc(cc1)/C=C/C(=O)c1c(O)cc(cc1O)O

P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)3.248621
O15496Group 10 secretory phospholipase A2 (EC 3.1.1.4) (Group X secretory ...Phospholipase A2 familyPLA2G108399;Homo sapiens (Human)2.139932
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)2.135463
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.134344
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)2.075265
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)1.903946
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.860487
O14842Free fatty acid receptor 1 (G-protein coupled receptor 40)G-protein coupled receptor 1 familyFFAR12864;Homo sapiens (Human)1.766878
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.702059
P39877Calcium-dependent phospholipase A2 (EC 3.1.1.4) (Group V phospholipase A2) (PLA2-10) ...Phospholipase A2 familyPLA2G55322;Homo sapiens (Human)1.6278610
P14555Phospholipase A2, membrane associated (EC 3.1.1.4) (GIIC sPLA2) (Group IIA ...Phospholipase A2 familyPLA2G2A5320;Homo sapiens (Human)1.3869311
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.3281512
Q8IW41MAP kinase-activated protein kinase 5 (MAPK-activated protein kinase 5) (MAPKAP ...Protein kinase superfamily, CAMK Ser/Thr protein kinase familyMAPKAPK58550;Homo sapiens (Human)1.2941713
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2692614
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.2551415
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.2249816
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.1884117
P22001Potassium voltage-gated channel subfamily A member 3 (HGK5) (HLK3) (HPCN3) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.3/KCNA3 sub-subfamilyKCNA33738;Homo sapiens (Human)1.159718
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.1365619
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.134420
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.1152821
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.0783822
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.0319723
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.0241124
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0049525
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0000726
P37840Alpha-synuclein (Non-A beta component of AD amyloid) (Non-A4 component of ...Synuclein familySNCA6622;Homo sapiens (Human)0.98797427
P11926Ornithine decarboxylase (ODC) (EC 4.1.1.17)Orn/Lys/Arg decarboxylase class-II familyODC14953;Homo sapiens (Human)0.95313928
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.94793429
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.94666130
Q05655Protein kinase C delta type (EC 2.7.11.13) (Tyrosine-protein kinase PRKCD) ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCD5580;Homo sapiens (Human)0.91392631
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.86847332
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.84995633
O14746Telomerase reverse transcriptase (EC 2.7.7.49) (HEST2) (Telomerase catalytic subunit) (Telomerase-associated ...Reverse transcriptase family, Telomerase subfamilyTERT7015;Homo sapiens (Human)0.78419734
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.78380835
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)0.77973236
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.77559637
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)0.77304838
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.77041439
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)0.76984340
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.76830141
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)0.76467842
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.75563743
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)0.7402644
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.73749145
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.73668146
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.73115747
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.72983848
Q9BY41Histone deacetylase 8 (HD8) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC855869;Homo sapiens (Human)0.72667349
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.71406950

[30] Untitled

Original SMILES:
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

Prepared SMILES:
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.124211
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)3.053382
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.89034Known
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)2.54438Known
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.43868Known
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)2.346143
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)2.152444
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)2.120865
Q15119[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (EC 2.7.11.2) (Pyruvate ...PDK/BCKDK protein kinase familyPDK25164;Homo sapiens (Human)2.102316
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.913947
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.912988
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.716779
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.667710
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.63299Known
P08183Multidrug resistance protein 1 (EC 7.6.2.2) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...ABCB15243;Homo sapiens (Human)1.5371611
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.52122Known
P33527Multidrug resistance-associated protein 1 (ATP-binding cassette sub-family C member 1) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC14363;Homo sapiens (Human)1.50873Known
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.5016512
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.4064913
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3713214
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.32815Known
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.2818215
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.1892516
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.1705417
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.1661818
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0959919
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)1.0007720
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)0.98106821
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.96940322
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)0.915765Known
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)0.87284823
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familySERPINA6866;Homo sapiens (Human)0.86999824
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.86220225
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.83954326
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.824005Known
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.82313327
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)0.80464628
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)0.78880829
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)0.78041430
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.76213231
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)0.75437132
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.75260233
P09488Glutathione S-transferase Mu 1 (EC 2.5.1.18) (GST HB subunit 4) ...GST superfamily, Mu familyGSTM12944;Homo sapiens (Human)0.74376634
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)0.74337135
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)0.74055436
P1542815-hydroxyprostaglandin dehydrogenase [NAD(+)] (15-PGDH) (EC 1.1.1.141) (Prostaglandin dehydrogenase 1) (Short ...Short-chain dehydrogenases/reductases (SDR) familyHPGD3248;Homo sapiens (Human)0.73957237
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.73609138
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)0.73062239
P22310UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A454657;Homo sapiens (Human)0.72827540
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.72305741
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)0.71571242
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)0.69419343
Q9UNQ0ATP-binding cassette sub-family G member 2 (Breast cancer resistance protein) ...ABC transporter superfamily, ABCG family, Eye pigment precursor importer (TC ...ABCG29429;Homo sapiens (Human)0.6753644
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.67356745
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.65801646
O75493Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ...Alpha-carbonic anhydrase familyCA11770;Homo sapiens (Human)0.65281247
P62942Peptidyl-prolyl cis-trans isomerase FKBP1A (PPIase FKBP1A) (EC 5.2.1.8) (12 kDa ...FKBP-type PPIase family, FKBP1 subfamilyFKBP1A2280;Homo sapiens (Human)0.64195348
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.6398949
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.6369250
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.582156Known
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.391668Known
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.299998Known

[31] Untitled

Original SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O

Prepared SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O

P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.71509Known
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)3.61265Known
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.49128Known
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)3.154211
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)3.11241Known
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)3.08524Known
P39900Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix ...Peptidase M10A familyMMP124321;Homo sapiens (Human)2.73422Known
Q9UGN5Poly [ADP-ribose] polymerase 2 (PARP-2) (hPARP-2) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria ...PARP210038;Homo sapiens (Human)2.43772
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)2.429313
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.370224
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)2.22477Known
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.203Known
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.0029Known
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...ADAM176868;Homo sapiens (Human)1.846955
P02766Transthyretin (ATTR) (Prealbumin) (TBPA)Transthyretin familyTTR7276;Homo sapiens (Human)1.83524Known
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.7866
Q6UVM3Potassium channel subfamily T member 2 (Sequence like an intermediate ...Potassium channel family, Calcium-activated (TC 1.A.1.3) subfamily, KCa4.2/KCNT2 sub-subfamilyKCNT2343450;Homo sapiens (Human)1.760467
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.618568
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.611629
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.5711610
P11309Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamilyPIM15292;Homo sapiens (Human)1.40423Known
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)1.35151Known
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.33383Known
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.30996Known
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)1.2386111
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.23671Known
P0825372 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ...Peptidase M10A familyMMP24313;Homo sapiens (Human)1.23353Known
Q9Y468Lethal(3)malignant brain tumor-like protein 1 (H-l(3)mbt) (H-l(3)mbt protein) (L(3)mbt-like) (L(3)mbt ...L3MBTL126013;Homo sapiens (Human)1.179612
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyMMP94318;Homo sapiens (Human)1.16947Known
O95479GDH/6PGL endoplasmic bifunctional protein [Includes: Glucose 1-dehydrogenase (EC 1.1.1.47) (Glucose-6-phosphate ...Glucose-6-phosphate dehydrogenase family; Glucosamine/galactosamine-6-phosphate isomerase family, 6-phosphogluconolactonase subfamilyH6PD9563;Homo sapiens (Human)1.1581713
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)1.1371914
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)1.11254Known
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)1.1113215
Q9H2K2Poly [ADP-ribose] polymerase tankyrase-2 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 6) ...TNKS280351;Homo sapiens (Human)1.10007Known
Q9NPH5NADPH oxidase 4 (EC 1.6.3.-) (Kidney oxidase-1) (KOX-1) (Kidney superoxide-producing ...NOX450507;Homo sapiens (Human)1.02645Known
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.02547Known
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)1.0223416
P18054Arachidonate 12-lipoxygenase, 12S-type (12S-LOX) (12S-lipoxygenase) (EC 1.13.11.31) (Lipoxin synthase 12-LO) ...Lipoxygenase familyALOX12239;Homo sapiens (Human)1.0066217
P09237Matrilysin (EC 3.4.24.23) (Matrin) (Matrix metalloproteinase-7) (MMP-7) (Pump-1 protease) (Uterine ...Peptidase M10A familyMMP74316;Homo sapiens (Human)0.96691518
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)0.956192Known
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...TNKS8658;Homo sapiens (Human)0.952081Known
P36888Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) (FL cytokine receptor) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyFLT32322;Homo sapiens (Human)0.945803Known
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.94118519
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)0.93986520
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.93864821
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.933469Known
P08254Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1)Peptidase M10A familyMMP34314;Homo sapiens (Human)0.91884122
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.918775Known
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.914901Known
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.89666323
P13569Cystic fibrosis transmembrane conductance regulator (CFTR) (ATP-binding cassette sub-family C ...ABC transporter superfamily, ABCC family, CFTR transporter (TC 3.A.1.202) subfamilyCFTR1080;Homo sapiens (Human)0.89611824
Q9Y5S8NADPH oxidase 1 (NOX-1) (EC 1.-.-.-) (Mitogenic oxidase 1) (MOX-1) ...NOX127035;Homo sapiens (Human)0.89339925
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.875165Known
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.867908Known
P22894Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL)Peptidase M10A familyMMP84317;Homo sapiens (Human)0.85680826
P08069Insulin-like growth factor 1 receptor (EC 2.7.10.1) (Insulin-like growth factor ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyIGF1R3480;Homo sapiens (Human)0.84999127
P49841Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamilyGSK3B2932;Homo sapiens (Human)0.827866Known
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)0.8198928
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)0.8134329
P12931Proto-oncogene tyrosine-protein kinase Src (EC 2.7.10.2) (Proto-oncogene c-Src) (pp60c-src) (p60-Src)Protein kinase superfamily, Tyr protein kinase family, SRC subfamilySRC6714;Homo sapiens (Human)0.80175430
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)0.79917731
P50281Matrix metalloproteinase-14 (MMP-14) (EC 3.4.24.80) (MMP-X1) (Membrane-type matrix metalloproteinase 1) ...Peptidase M10A familyMMP144323;Homo sapiens (Human)0.79221332
Q00534Cyclin-dependent kinase 6 (EC 2.7.11.22) (Cell division protein kinase 6) ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK61021;Homo sapiens (Human)0.77243833
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.7657534
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)0.7617635
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.7616136
Q9H0J9Protein mono-ADP-ribosyltransferase PARP12 (EC 2.4.2.-) (ADP-ribosyltransferase diphtheria toxin-like 12) (ARTD12) ...PARP1264761;Homo sapiens (Human)0.75364137
P19224UDP-glucuronosyltransferase 1-6 (UDPGT 1-6) (UGT1*6) (UGT1-06) (UGT1.6) (EC 2.4.1.17) (Phenol-metabolizing ...UDP-glycosyltransferase familyUGT1A654578;Homo sapiens (Human)0.75019138
Q9UKK3Protein mono-ADP-ribosyltransferase PARP4 (EC 2.4.2.-) (193 kDa vault protein) (ADP-ribosyltransferase ...PARP4143;Homo sapiens (Human)0.74777539
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyMMP14312;Homo sapiens (Human)0.7430440
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.71556641
Q14191Werner syndrome ATP-dependent helicase (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyWRN7486;Homo sapiens (Human)0.711531Known
O15296Arachidonate 15-lipoxygenase B (15-LOX-B) (EC 1.13.11.33) (15-lipoxygenase 2) (15-LOX-2) (Arachidonate ...Lipoxygenase familyALOX15B247;Homo sapiens (Human)0.68736742
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)0.68257943
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)0.66467744
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)0.6616245
P51151Ras-related protein Rab-9ASmall GTPase superfamily, Rab familyRAB9A9367;Homo sapiens (Human)0.65817246
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.65367547
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyGLO12739;Homo sapiens (Human)0.645354Known
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.64159848
Q9Y6F1Protein mono-ADP-ribosyltransferase PARP3 (EC 2.4.2.-) (ADP-ribosyltransferase diphtheria toxin-like 3) (ARTD3) ...PARP310039;Homo sapiens (Human)0.6393949
P12104Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP22169;Homo sapiens (Human)0.63266150
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...PARP1142;Homo sapiens (Human)0.599635Known
Q9Y253DNA polymerase eta (EC 2.7.7.7) (RAD30 homolog A) (Xeroderma pigmentosum ...DNA polymerase type-Y familyPOLH5429;Homo sapiens (Human)0.581125Known
Q9HC97G-protein coupled receptor 35 (Kynurenic acid receptor) (KYNA receptor)G-protein coupled receptor 1 familyGPR352859;Homo sapiens (Human)0.487121Known
P16050Arachidonate 15-lipoxygenase (15-LOX) (15-LOX-1) (EC 1.13.11.33) (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) ...Lipoxygenase familyALOX15246;Homo sapiens (Human)0.464651Known
O75475PC4 and SFRS1-interacting protein (CLL-associated antigen KW-7) (Dense fine speckles ...HDGF familyPSIP111168;Homo sapiens (Human)0.460023Known
P46063ATP-dependent DNA helicase Q1 (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyRECQL5965;Homo sapiens (Human)0.458333Known
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.41517Known
Q9UNA4DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B)DNA polymerase type-Y familyPOLI11201;Homo sapiens (Human)0.378477Known
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.328662Known
Q9UNQ0ATP-binding cassette sub-family G member 2 (Breast cancer resistance protein) ...ABC transporter superfamily, ABCG family, Eye pigment precursor importer (TC ...ABCG29429;Homo sapiens (Human)0.316035Known
P43405Tyrosine-protein kinase SYK (EC 2.7.10.2) (Spleen tyrosine kinase) (p72-Syk)Protein kinase superfamily, Tyr protein kinase family, SYK/ZAP-70 subfamilySYK6850;Homo sapiens (Human)0.312944Known
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familySMN1; SMN26606;6607;Homo sapiens (Human)0.245832Known
P28907ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (EC 3.2.2.6) (2'-phospho-ADP-ribosyl cyclase) (2'-phospho-ADP-ribosyl ...ADP-ribosyl cyclase familyCD38952;Homo sapiens (Human)0.0861861Known

[32] Untitled

Original SMILES:
Oc1ccc2c(c1)c(=O)c1c(o2)cccc1

Prepared SMILES:
Oc1ccc2c(c1)c(=O)c1c(o2)cccc1

P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)3.8571
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)3.149632
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.539833
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)2.454724
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)2.413745
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.309836
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)2.235477
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.202998
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)2.173069
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)2.1649810
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.8257411
P15559NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...NAD(P)H dehydrogenase (quinone) familyNQO11728;Homo sapiens (Human)1.7848812
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.7526813
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.7435414
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)1.6692115
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.6450416
P61073C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ...G-protein coupled receptor 1 familyCXCR47852;Homo sapiens (Human)1.6299717
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.6165618
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.6094319
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)1.5810920
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)1.4664421
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.4655422
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.4285423
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)1.3455124
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.3291125
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.2856526
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.2730127
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.2133228
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.2073729
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)1.1921230
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.1886331
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.1869132
P460985-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) ...Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) ...HTR3A3359;Homo sapiens (Human)1.177233
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.1770734
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.164435
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)1.1269336
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.1236337
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.1087938
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.0946239
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.0877340
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.0865741
P42338Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3-kinase subunit beta) ...PI3/PI4-kinase familyPIK3CB5291;Homo sapiens (Human)1.0568542
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)1.0441443
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.0311344
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.0102845
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)1.0033446
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.98735447
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.98592548
P35270Sepiapterin reductase (SPR) (EC 1.1.1.153)Sepiapterin reductase familySPR6697;Homo sapiens (Human)0.98540349
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.98533850

[33] Untitled

Original SMILES:
OC(=O)CCC(C(C)(C)C)CC(=O)O

Prepared SMILES:
OC(=O)CCC(C(C)(C)C)CC(=O)O

Q05469Hormone-sensitive lipase (HSL) (EC 3.1.1.79)'GDXG' lipolytic enzyme familyLIPE3991;Homo sapiens (Human)41
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)3.503062
P24557Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1)Cytochrome P450 familyTBXAS16916;Homo sapiens (Human)3.348943
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.805554
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)2.610485
O75907Diacylglycerol O-acyltransferase 1 (EC 2.3.1.20) (ACAT-related gene product 1) (Acyl-CoA ...Membrane-bound acyltransferase family, Sterol o-acyltransferase subfamilyDGAT18694;Homo sapiens (Human)2.51286
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)2.48267
Q01469Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP52171;Homo sapiens (Human)2.160448
O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)2.04979
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyPTGDR211251;Homo sapiens (Human)1.9394210
P07148Fatty acid-binding protein, liver (Fatty acid-binding protein 1) (Liver-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP12168;Homo sapiens (Human)1.8795311
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)1.8745112
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)1.7821913
Q16099Glutamate receptor ionotropic, kainate 4 (GluK4) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK4 subfamilyGRIK42900;Homo sapiens (Human)1.7387214
Q13258Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)G-protein coupled receptor 1 familyPTGDR5729;Homo sapiens (Human)1.7347415
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.5870416
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.5303617
Q13002Glutamate receptor ionotropic, kainate 2 (GluK2) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK2 subfamilyGRIK22898;Homo sapiens (Human)1.5018918
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)1.4898919
Q9Y3Q0N-acetylated-alpha-linked acidic dipeptidase 2 (EC 3.4.17.21) (Glutamate carboxypeptidase III) (GCPIII) ...Peptidase M28 family, M28B subfamilyNAALAD210003;Homo sapiens (Human)1.4827120
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)1.3784721
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1H49971;Homo sapiens (Human)1.3781322
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.3576523
P312133-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...Steroid 5-alpha reductase familySRD5A26716;Homo sapiens (Human)1.3536124
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.3025225
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)1.2949426
Q14790Caspase-8 (CASP-8) (EC 3.4.22.61) (Apoptotic cysteine protease) (Apoptotic protease Mch-5) ...Peptidase C14A familyCASP8841;Homo sapiens (Human)1.2924927
P08473Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ...Peptidase M13 familyMME4311;Homo sapiens (Human)1.2858128
Q99788Chemokine-like receptor 1 (G-protein coupled receptor ChemR23) (G-protein coupled receptor ...G-protein coupled receptor 1 familyCMKLR11240;Homo sapiens (Human)1.2724229
Q5NUL3Free fatty acid receptor 4 (G-protein coupled receptor 120) (G-protein ...G-protein coupled receptor 1 familyFFAR4338557;Homo sapiens (Human)1.2272530
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.1568531
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.1463432
P25105Platelet-activating factor receptor (PAF-R) (PAFr)G-protein coupled receptor 1 familyPTAFR5724;Homo sapiens (Human)1.1299933
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.1123834
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)1.1077235
P42574Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...Peptidase C14A familyCASP3836;Homo sapiens (Human)1.1046236
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0940737
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)1.0872738
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)1.0416539
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.97733540
P23415Glycine receptor subunit alpha-1 (Glycine receptor 48 kDa subunit) (Glycine ...Ligand-gated ion channel (TC 1.A.9) family, Glycine receptor (TC 1.A.9.3) ...GLRA12741;Homo sapiens (Human)0.96701141
P49662Caspase-4 (CASP-4) (EC 3.4.22.57) (ICE and Ced-3 homolog 2) (ICH-2) ...Peptidase C14A familyCASP4837;Homo sapiens (Human)0.95406442
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.94570343
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)0.93846744
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)0.92801845
P39086Glutamate receptor ionotropic, kainate 1 (GluK1) (Excitatory amino acid receptor ...Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK1 subfamilyGRIK12897;Homo sapiens (Human)0.92743146
P55211Caspase-9 (CASP-9) (EC 3.4.22.62) (Apoptotic protease Mch-6) (Apoptotic protease-activating factor ...Peptidase C14A familyCASP9842;Homo sapiens (Human)0.92312847
P39900Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix ...Peptidase M10A familyMMP124321;Homo sapiens (Human)0.90403448
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.8886849
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.88574150

[34] Untitled

Original SMILES:
COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O

Prepared SMILES:
COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O

P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)3.795561
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)3.59711Known
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.43578Known
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.328582
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)3.32217Known
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)2.95901Known
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)2.583833
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)2.55944
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.22005Known
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.210655
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)1.9962Known
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)1.705486
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.57503Known
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)1.530017
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)1.528498
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.486779
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.4126710
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.1868711
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.186112
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.1608813
P11309Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamilyPIM15292;Homo sapiens (Human)1.1433614
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)1.0844215
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)1.0712216
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0533717
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.0372518
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.0217619
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)1.0184820
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)1.0129421
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.98826122
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.975765Known
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.968147Known
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.95519523
Q8N1Q1Carbonic anhydrase 13 (EC 4.2.1.1) (Carbonate dehydratase XIII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA13377677;Homo sapiens (Human)0.94319824
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.918587Known
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)0.90615925
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.89875926
P19224UDP-glucuronosyltransferase 1-6 (UDPGT 1-6) (UGT1*6) (UGT1-06) (UGT1.6) (EC 2.4.1.17) (Phenol-metabolizing ...UDP-glycosyltransferase familyUGT1A654578;Homo sapiens (Human)0.88816527
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)0.87290128
P45984Mitogen-activated protein kinase 9 (MAP kinase 9) (MAPK 9) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK95601;Homo sapiens (Human)0.87092329
O76074cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)Cyclic nucleotide phosphodiesterase familyPDE5A8654;Homo sapiens (Human)0.85605430
Q15759Mitogen-activated protein kinase 11 (MAP kinase 11) (MAPK 11) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK115600;Homo sapiens (Human)0.81901231
O75493Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ...Alpha-carbonic anhydrase familyCA11770;Homo sapiens (Human)0.81485432
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.81311933
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.79279134
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.78122735
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.77930836
P09488Glutathione S-transferase Mu 1 (EC 2.5.1.18) (GST HB subunit 4) ...GST superfamily, Mu familyGSTM12944;Homo sapiens (Human)0.75696237
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)0.74138538
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.73460239
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.7198340
P24941Cyclin-dependent kinase 2 (EC 2.7.11.22) (Cell division protein kinase 2) ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK21017;Homo sapiens (Human)0.71874341
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.70270642
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.68877343
P12931Proto-oncogene tyrosine-protein kinase Src (EC 2.7.10.2) (Proto-oncogene c-Src) (pp60c-src) (p60-Src)Protein kinase superfamily, Tyr protein kinase family, SRC subfamilySRC6714;Homo sapiens (Human)0.68254744
O75608Acyl-protein thioesterase 1 (APT-1) (hAPT1) (EC 3.1.2.-) (Lysophospholipase 1) (Lysophospholipase ...AB hydrolase superfamily, AB hydrolase 2 familyLYPLA110434;Homo sapiens (Human)0.67949945
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)0.6722546
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)0.66420247
Q9NPH5NADPH oxidase 4 (EC 1.6.3.-) (Kidney oxidase-1) (KOX-1) (Kidney superoxide-producing ...NOX450507;Homo sapiens (Human)0.66199848
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)0.66077549
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.64999950
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.449695Known

[35] Untitled

Original SMILES:
COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O)O

Prepared SMILES:
COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O)O

P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)3.795561
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)3.571942
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.328593
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)3.32685Known
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.315554
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)2.98242Known
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)2.220055
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)2.026626
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)2.00311Known
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)1.958867
P19224UDP-glucuronosyltransferase 1-6 (UDPGT 1-6) (UGT1*6) (UGT1-06) (UGT1.6) (EC 2.4.1.17) (Phenol-metabolizing ...UDP-glycosyltransferase familyUGT1A654578;Homo sapiens (Human)1.583328
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.575039
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)1.5604210
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.3691611
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.3058212
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.2031213
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)1.1964714
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.1868715
P22310UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A454657;Homo sapiens (Human)1.1327116
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.1199417
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.1050918
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)1.0929519
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.0900320
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)1.0858221
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)1.0341922
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)1.0272923
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0263224
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)1.0123225
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.0064526
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.0030427
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)0.97793128
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.96814729
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.9427730
P11309Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamilyPIM15292;Homo sapiens (Human)0.89591831
P60568Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin)IL-2 familyIL23558;Homo sapiens (Human)0.87339832
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.833983Known
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.82934733
P50750Cyclin-dependent kinase 9 (EC 2.7.11.22) (EC 2.7.11.23) (C-2K) (Cell division ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK91025;Homo sapiens (Human)0.79659334
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.7947635
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.78965236
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.76798237
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.7657538
P09488Glutathione S-transferase Mu 1 (EC 2.5.1.18) (GST HB subunit 4) ...GST superfamily, Mu familyGSTM12944;Homo sapiens (Human)0.75696239
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.74318540
O76074cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)Cyclic nucleotide phosphodiesterase familyPDE5A8654;Homo sapiens (Human)0.7393641
P04745Alpha-amylase 1 (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase 1) (Salivary alpha-amylase)Glycosyl hydrolase 13 familyAMY1A; AMY1B; AMY1C276;277;278;Homo sapiens (Human)0.72301842
Q9UQB9Aurora kinase C (EC 2.7.11.1) (Aurora 3) (Aurora/IPL1-related kinase 3) ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKC6795;Homo sapiens (Human)0.71998343
P51151Ras-related protein Rab-9ASmall GTPase superfamily, Rab familyRAB9A9367;Homo sapiens (Human)0.68719344
Q13332Receptor-type tyrosine-protein phosphatase S (R-PTP-S) (EC 3.1.3.48) (Receptor-type tyrosine-protein phosphatase ...Protein-tyrosine phosphatase family, Receptor class 2A subfamilyPTPRS5802;Homo sapiens (Human)0.6773645
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)0.65145146
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.64999947
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)0.64459448
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)0.63971649
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.58142850

[36] Untitled

Original SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1

Prepared SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1

Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)3.731411
P53779Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK105602;Homo sapiens (Human)3.644252
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.32858Known
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)3.08143
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)2.98802Known
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)2.85947Known
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)2.65898Known
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)2.45472Known
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.370224
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)2.23815
Q9UBN4Short transient receptor potential channel 4 (TrpC4) (Trp-related protein 4) ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC4 sub-subfamilyTRPC47223;Homo sapiens (Human)1.898996
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.82254Known
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.786Known
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.571167
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.508398
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)1.49184Known
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)1.46268Known
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.420149
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.37309Known
P11309Serine/threonine-protein kinase pim-1 (EC 2.7.11.1)Protein kinase superfamily, CAMK Ser/Thr protein kinase family, PIM subfamilyPIM15292;Homo sapiens (Human)1.2921110
P11474Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ...Nuclear hormone receptor family, NR3 subfamilyESRRA2101;Homo sapiens (Human)1.2485611
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)1.2386112
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.1868713
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.16041Known
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.05688Known
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)0.973921Known
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.940069Known
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.93909Known
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.92157714
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)0.91517415
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.84442716
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...TNKS8658;Homo sapiens (Human)0.84030517
Q168756-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ...Phosphoglycerate mutase familyPFKFB35209;Homo sapiens (Human)0.82600518
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyPOLK51426;Homo sapiens (Human)0.81942819
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.81390520
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.8115121
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.79697322
Q9H2K2Poly [ADP-ribose] polymerase tankyrase-2 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 6) ...TNKS280351;Homo sapiens (Human)0.78848323
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)0.7657524
P23280Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA6765;Homo sapiens (Human)0.7617625
Q9Y2D0Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ...Alpha-carbonic anhydrase familyCA5B11238;Homo sapiens (Human)0.76045226
P35869Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ...AHR196;Homo sapiens (Human)0.67435127
P02766Transthyretin (ATTR) (Prealbumin) (TBPA)Transthyretin familyTTR7276;Homo sapiens (Human)0.674228
P22310UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A454657;Homo sapiens (Human)0.66998229
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.66904530
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)0.66199631
P29371Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ...G-protein coupled receptor 1 familyTACR36870;Homo sapiens (Human)0.65500432
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.64527333
Q00534Cyclin-dependent kinase 6 (EC 2.7.11.22) (Cell division protein kinase 6) ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK61021;Homo sapiens (Human)0.63197734
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.62673935
Q9NPH5NADPH oxidase 4 (EC 1.6.3.-) (Kidney oxidase-1) (KOX-1) (Kidney superoxide-producing ...NOX450507;Homo sapiens (Human)0.62527236
O76074cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)Cyclic nucleotide phosphodiesterase familyPDE5A8654;Homo sapiens (Human)0.61211737
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.60480138
Q13936Voltage-dependent L-type calcium channel subunit alpha-1C (Calcium channel, L type, ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1C subfamilyCACNA1C775;Homo sapiens (Human)0.60339639
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.59281340
O14965Aurora kinase A (EC 2.7.11.1) (Aurora 2) (Aurora/IPL1-related kinase 1) ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKA6790;Homo sapiens (Human)0.58521741
P29275Adenosine receptor A2bG-protein coupled receptor 1 familyADORA2B136;Homo sapiens (Human)0.5681642
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.56470743
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyPOLB5423;Homo sapiens (Human)0.56091644
P19224UDP-glucuronosyltransferase 1-6 (UDPGT 1-6) (UGT1*6) (UGT1-06) (UGT1.6) (EC 2.4.1.17) (Phenol-metabolizing ...UDP-glycosyltransferase familyUGT1A654578;Homo sapiens (Human)0.55514445
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyOSBP223762;Homo sapiens (Human)0.55421746
P09488Glutathione S-transferase Mu 1 (EC 2.5.1.18) (GST HB subunit 4) ...GST superfamily, Mu familyGSTM12944;Homo sapiens (Human)0.54306547
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)0.54294848
P40225Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ...EPO/TPO familyTHPO7066;Homo sapiens (Human)0.54106649
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)0.53447650
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.50094Known
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.474999Known
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.460642Known
P08183Multidrug resistance protein 1 (EC 7.6.2.2) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...ABCB15243;Homo sapiens (Human)0.150003Known

[37] Untitled

Original SMILES:
CCOC(=O)c1ccccc1C(=O)OCC

Prepared SMILES:
CCOC(=O)c1ccccc1C(=O)OCC

Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)4.270731
P14867Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA12554;Homo sapiens (Human)3.07432
P31644Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A) receptor subunit alpha-5)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA52558;Homo sapiens (Human)2.76383
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.592344
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)2.434575
Q96RI0Proteinase-activated receptor 4 (PAR-4) (Coagulation factor II receptor-like 3) (Thrombin ...G-protein coupled receptor 1 familyF2RL39002;Homo sapiens (Human)2.340586
P48169Gamma-aminobutyric acid receptor subunit alpha-4 (GABA(A) receptor subunit alpha-4)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA42557;Homo sapiens (Human)2.127497
O95399Urotensin-2 (Urotensin II) (U-II) (UII)Urotensin-2 familyUTS210911;Homo sapiens (Human)2.109218
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)2.064169
P34903Gamma-aminobutyric acid receptor subunit alpha-3 (GABA(A) receptor subunit alpha-3)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA32556;Homo sapiens (Human)2.0244210
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.990411
Q9GZZ6Neuronal acetylcholine receptor subunit alpha-10 (Nicotinic acetylcholine receptor subunit alpha-10) ...Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA1057053;Homo sapiens (Human)1.9144412
Q9UGM1Neuronal acetylcholine receptor subunit alpha-9 (Nicotinic acetylcholine receptor subunit alpha-9) ...Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA955584;Homo sapiens (Human)1.9144413
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)1.9089614
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.8720415
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)1.8249916
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.7882817
Q9H2X9Solute carrier family 12 member 5 (Electroneutral potassium-chloride cotransporter 2) ...SLC12A transporter familySLC12A557468;Homo sapiens (Human)1.7448318
P0DMS9Transmembrane domain-containing protein TMIGD3TMIGD357413;Homo sapiens (Human)1.7406519
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.7378120
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.7237221
Q99808Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ...SLC29A/ENT transporter (TC 2.A.57) familySLC29A12030;Homo sapiens (Human)1.6834422
P05231Interleukin-6 (IL-6) (B-cell stimulatory factor 2) (BSF-2) (CTL differentiation factor) ...IL-6 superfamilyIL63569;Homo sapiens (Human)1.6697623
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)1.6028324
P47869Gamma-aminobutyric acid receptor subunit alpha-2 (GABA(A) receptor subunit alpha-2)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA22555;Homo sapiens (Human)1.5436425
P460985-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) ...Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) ...HTR3A3359;Homo sapiens (Human)1.5181726
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.4949227
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.4619428
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyHRH13269;Homo sapiens (Human)1.4511729
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)1.4484730
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.4323731
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.4058632
Q15761Neuropeptide Y receptor type 5 (NPY5-R) (NPY-Y5 receptor) (NPYY5-R) (Y5 ...G-protein coupled receptor 1 familyNPY5R4889;Homo sapiens (Human)1.4003733
Q8N6T7NAD-dependent protein deacetylase sirtuin-6 (EC 3.5.1.-) (Regulatory protein SIR2 homolog ...Sirtuin family, Class IV subfamilySIRT651548;Homo sapiens (Human)1.3443934
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.3266435
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyKIF113832;Homo sapiens (Human)1.298636
P04818Thymidylate synthase (TS) (TSase) (EC 2.1.1.45)Thymidylate synthase familyTYMS7298;Homo sapiens (Human)1.2511637
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.2380538
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)1.2160239
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.2138340
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.2107741
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.2048642
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)1.2043443
Q9UKP6Urotensin-2 receptor (UR-2-R) (G-protein coupled receptor 14) (Urotensin II receptor) ...G-protein coupled receptor 1 familyUTS2R2837;Homo sapiens (Human)1.1857644
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.1769345
Q16445Gamma-aminobutyric acid receptor subunit alpha-6 (GABA(A) receptor subunit alpha-6)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA62559;Homo sapiens (Human)1.1766546
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.1682947
Q9BX63Fanconi anemia group J protein (Protein FACJ) (EC 3.6.4.13) (ATP-dependent ...DEAD box helicase family, DEAH subfamilyBRIP183990;Homo sapiens (Human)1.1511248
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.1500149
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyNOS14842;Homo sapiens (Human)1.1457850

[38] Untitled

Original SMILES:
O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C

Prepared SMILES:
O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C

P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)3.6876Known
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)3.65091
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)3.007132
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)2.890493
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)2.672654
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)2.556555
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)2.549036
P22310UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A454657;Homo sapiens (Human)2.533187
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyCYP17A11586;Homo sapiens (Human)2.284948
P312133-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...Steroid 5-alpha reductase familySRD5A26716;Homo sapiens (Human)2.267749
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.17475Known
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)2.0316410
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)2.000211
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.9269712
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.9211713
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familySERPINA6866;Homo sapiens (Human)1.8999714
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.8614315
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.8161416
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)1.8044617
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.7734218
P37058Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamilyHSD17B33293;Homo sapiens (Human)1.733719
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)1.7050420
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)1.677221
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.6535422
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)1.6071123
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)1.5583724
Q86Y34Adhesion G protein-coupled receptor G3 (G-protein coupled receptor 97) (G-protein ...G-protein coupled receptor 2 family, Adhesion G-protein coupled receptor (ADGR) ...ADGRG3222487;Homo sapiens (Human)1.529725
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)1.4831826
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)1.4614527
P15104Glutamine synthetase (GS) (EC 6.3.1.2) (Glutamate--ammonia ligase) (Palmitoyltransferase GLUL) (EC ...Glutamine synthetase familyGLUL2752;Homo sapiens (Human)1.3176928
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.3043829
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.2988630
Q04844Acetylcholine receptor subunit epsilonLigand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNE1145;Homo sapiens (Human)1.245631
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.2345932
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.2124833
Q96T53Ghrelin O-acyltransferase (EC 2.3.1.-) (Membrane-bound O-acyltransferase domain-containing protein 4) (O-acyltransferase ...Membrane-bound acyltransferase familyMBOAT4619373;Homo sapiens (Human)1.1925334
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)1.152335
Q079731,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (24-OHase) (Vitamin D(3) 24-hydroxylase) (EC 1.14.15.16) ...Cytochrome P450 familyCYP24A11591;Homo sapiens (Human)1.0652436
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...HIF1A3091;Homo sapiens (Human)1.0612837
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)0.93718438
P184053-oxo-5-alpha-steroid 4-dehydrogenase 1 (EC 1.3.1.22) (SR type 1) (Steroid 5-alpha-reductase ...Steroid 5-alpha reductase familySRD5A16715;Homo sapiens (Human)0.93391239
P32249G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ...G-protein coupled receptor 1 familyGPR1831880;Homo sapiens (Human)0.9286940
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)0.9088441
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.90294142
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.87764743
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1I28856;Homo sapiens (Human)0.87437144
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyOSBP223762;Homo sapiens (Human)0.86782445
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.84404446
P24557Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1)Cytochrome P450 familyTBXAS16916;Homo sapiens (Human)0.8368247
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.78335948
Q8TDU6G-protein coupled bile acid receptor 1 (G-protein coupled receptor GPCR19) ...G-protein coupled receptor 1 familyGPBAR1151306;Homo sapiens (Human)0.76505449
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.74790450

[39] Untitled

Original SMILES:
CCc1ccc(cc1)C1OC2COC(OC2C(O1)C(CO)O)c1ccc(cc1)CC

Prepared SMILES:
CCc1ccc(cc1)C1OC2COC(OC2C(O1)C(CO)O)c1ccc(cc1)CC

P60842Eukaryotic initiation factor 4A-I (eIF-4A-I) (eIF4A-I) (EC 3.6.4.13) (ATP-dependent RNA ...DEAD box helicase family, eIF4A subfamilyEIF4A11973;Homo sapiens (Human)3.625911
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)2.267182
Q14573Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) (IP3R ...InsP3 receptor familyITPR33710;Homo sapiens (Human)2.151733
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)1.935354
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)1.823755
Q9UBN7Histone deacetylase 6 (HD6) (EC 3.5.1.98)Histone deacetylase family, HD type 2 subfamilyHDAC610013;Homo sapiens (Human)1.685246
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)1.684067
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.645138
P25025C-X-C chemokine receptor type 2 (CXC-R2) (CXCR-2) (CDw128b) (GRO/MGSA receptor) ...G-protein coupled receptor 1 familyCXCR23579;Homo sapiens (Human)1.596829
P25024C-X-C chemokine receptor type 1 (CXC-R1) (CXCR-1) (CDw128a) (High affinity ...G-protein coupled receptor 1 familyCXCR13577;Homo sapiens (Human)1.4493710
O15379Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45)Histone deacetylase family, HD type 1 subfamilyHDAC38841;Homo sapiens (Human)1.3758911
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.3710612
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)1.3130213
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.3072414
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.2720415
Q9BY41Histone deacetylase 8 (HD8) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC855869;Homo sapiens (Human)1.2555716
P21453Sphingosine 1-phosphate receptor 1 (S1P receptor 1) (S1P1) (Endothelial differentiation ...G-protein coupled receptor 1 familyS1PR11901;Homo sapiens (Human)1.2169817
O43451Maltase-glucoamylase, intestinal [Includes: Maltase (EC 3.2.1.20) (Alpha-glucosidase); Glucoamylase (EC 3.2.1.3) ...Glycosyl hydrolase 31 familyMGAM8972;Homo sapiens (Human)1.2010218
P05181Cytochrome P450 2E1 (EC 1.14.13.-) (4-nitrophenol 2-hydroxylase) (EC 1.14.13.n7) (CYPIIE1) ...Cytochrome P450 familyCYP2E11571;Homo sapiens (Human)1.1593819
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyAMY2A279;Homo sapiens (Human)1.1479920
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.1268721
Q969S8Polyamine deacetylase HDAC10 (EC 3.5.1.48) (EC 3.5.1.62) (Histone deacetylase 10) ...Histone deacetylase family, HD type 2 subfamilyHDAC1083933;Homo sapiens (Human)1.1258422
Q9UQL6Histone deacetylase 5 (HD5) (EC 3.5.1.98) (Antigen NY-CO-9)Histone deacetylase family, HD type 2 subfamilyHDAC510014;Homo sapiens (Human)1.0834523
Q96DB2Histone deacetylase 11 (HD11) (EC 3.5.1.98)Histone deacetylase familyHDAC1179885;Homo sapiens (Human)1.0713924
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.0576725
Q86WV6Stimulator of interferon genes protein (hSTING) (Endoplasmic reticulum interferon stimulator) ...TMEM173 familyTMEM173340061;Homo sapiens (Human)1.0021926
P18089Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamilyADRA2B151;Homo sapiens (Human)0.99516427
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.99261328
Q9UBL9P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)P2X receptor familyP2RX222953;Homo sapiens (Human)0.95549329
Q14643Inositol 1,4,5-trisphosphate receptor type 1 (IP3 receptor isoform 1) (IP3R ...InsP3 receptor familyITPR13708;Homo sapiens (Human)0.95427830
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.91345531
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)0.88747832
P33527Multidrug resistance-associated protein 1 (ATP-binding cassette sub-family C member 1) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC14363;Homo sapiens (Human)0.87721833
Q99500Sphingosine 1-phosphate receptor 3 (S1P receptor 3) (S1P3) (Endothelial differentiation ...G-protein coupled receptor 1 familyS1PR31903;Homo sapiens (Human)0.8762534
P00797Renin (EC 3.4.23.15) (Angiotensinogenase)Peptidase A1 familyREN5972;Homo sapiens (Human)0.86953935
Q9H244P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...G-protein coupled receptor 1 familyP2RY1264805;Homo sapiens (Human)0.86493236
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)0.84479937
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)0.8268338
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyFOLH12346;Homo sapiens (Human)0.81897139
P51582P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)G-protein coupled receptor 1 familyP2RY45030;Homo sapiens (Human)0.80008440
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)0.77137741
Q14642Type I inositol 1,4,5-trisphosphate 5-phosphatase (5PTase) (EC 3.1.3.56)Inositol 1,4,5-trisphosphate 5-phosphatase type I familyINPP5A3632;Homo sapiens (Human)0.76230842
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)0.74677843
P56373P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)P2X receptor familyP2RX35024;Homo sapiens (Human)0.73736144
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)0.70910445
Q02750Dual specificity mitogen-activated protein kinase kinase 1 (MAP kinase kinase ...Protein kinase superfamily, STE Ser/Thr protein kinase family, MAP kinase ...MAP2K15604;Homo sapiens (Human)0.70402746
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)0.69841547
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.67351448
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.66907749
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.66677950

[40] Untitled

Original SMILES:
CCCCOC(=O)c1ccccc1C(=O)OCCCC

Prepared SMILES:
CCCCOC(=O)c1ccccc1C(=O)OCCCC

Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)4.067781
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)2.769722
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)2.189153
P14867Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA12554;Homo sapiens (Human)2.120484
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)2.102445
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.039296
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)2.03597
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.8518
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)1.845089
O95399Urotensin-2 (Urotensin II) (U-II) (UII)Urotensin-2 familyUTS210911;Homo sapiens (Human)1.7965810
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)1.7911611
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.7798612
Q99808Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ...SLC29A/ENT transporter (TC 2.A.57) familySLC29A12030;Homo sapiens (Human)1.689513
P31644Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A) receptor subunit alpha-5)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA52558;Homo sapiens (Human)1.6477514
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.6147915
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)1.5999916
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.5859517
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.5841318
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.5549219
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.5470420
P48169Gamma-aminobutyric acid receptor subunit alpha-4 (GABA(A) receptor subunit alpha-4)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA42557;Homo sapiens (Human)1.5214121
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.5159922
Q9GZZ6Neuronal acetylcholine receptor subunit alpha-10 (Nicotinic acetylcholine receptor subunit alpha-10) ...Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA1057053;Homo sapiens (Human)1.5130823
Q9UGM1Neuronal acetylcholine receptor subunit alpha-9 (Nicotinic acetylcholine receptor subunit alpha-9) ...Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA955584;Homo sapiens (Human)1.5130824
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.5061125
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)1.5022426
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.4832127
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyHRH13269;Homo sapiens (Human)1.4686228
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.4605529
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.4369130
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.4250131
P43235Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)Peptidase C1 familyCTSK1513;Homo sapiens (Human)1.4116832
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.4060333
Q96RI0Proteinase-activated receptor 4 (PAR-4) (Coagulation factor II receptor-like 3) (Thrombin ...G-protein coupled receptor 1 familyF2RL39002;Homo sapiens (Human)1.399834
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.3879435
Q9H2X9Solute carrier family 12 member 5 (Electroneutral potassium-chloride cotransporter 2) ...SLC12A transporter familySLC12A557468;Homo sapiens (Human)1.387136
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.3867937
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.3724938
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.3634539
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)1.3595440
Q8N6T7NAD-dependent protein deacetylase sirtuin-6 (EC 3.5.1.-) (Regulatory protein SIR2 homolog ...Sirtuin family, Class IV subfamilySIRT651548;Homo sapiens (Human)1.3443941
P05231Interleukin-6 (IL-6) (B-cell stimulatory factor 2) (BSF-2) (CTL differentiation factor) ...IL-6 superfamilyIL63569;Homo sapiens (Human)1.3279542
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyKIF113832;Homo sapiens (Human)1.3241343
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.2957944
P34903Gamma-aminobutyric acid receptor subunit alpha-3 (GABA(A) receptor subunit alpha-3)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA32556;Homo sapiens (Human)1.291745
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyNOS14842;Homo sapiens (Human)1.2730346
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.2550447
Q15761Neuropeptide Y receptor type 5 (NPY5-R) (NPY-Y5 receptor) (NPYY5-R) (Y5 ...G-protein coupled receptor 1 familyNPY5R4889;Homo sapiens (Human)1.2204948
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.1957349
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.1868650

[41] Untitled

Original SMILES:
CC(c1cc(O)c(cc1O)C(C)(C)C)(C)C

Prepared SMILES:
CC(c1cc(O)c(cc1O)C(C)(C)C)(C)C

P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)2.703131
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.639212
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)2.446533
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.350524
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)2.062955
P05981Serine protease hepsin (EC 3.4.21.106) (Transmembrane protease serine 1) [Cleaved ...Peptidase S1 familyHPN3249;Homo sapiens (Human)2.006316
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.822247
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.76948
P13631Retinoic acid receptor gamma (RAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyRARG5916;Homo sapiens (Human)1.723789
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.6821110
P14061Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B13292;Homo sapiens (Human)1.6581411
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.6057312
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.5518213
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyKIF113832;Homo sapiens (Human)1.5115514
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.4008715
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyGLP1R2740;Homo sapiens (Human)1.3140516
Q9NZ45CDGSH iron-sulfur domain-containing protein 1 (MitoNEET)CISD protein familyCISD155847;Homo sapiens (Human)1.3022217
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.2978818
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.286919
P51686C-C chemokine receptor type 9 (C-C CKR-9) (CC-CKR-9) (CCR-9) (G-protein ...G-protein coupled receptor 1 familyCCR910803;Homo sapiens (Human)1.2753720
Q15466Nuclear receptor subfamily 0 group B member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR0 subfamilyNR0B28431;Homo sapiens (Human)1.2294321
P10276Retinoic acid receptor alpha (RAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyRARA5914;Homo sapiens (Human)1.1904222
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)1.1862723
P10826Retinoic acid receptor beta (RAR-beta) (HBV-activated protein) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyRARB5915;Homo sapiens (Human)1.1090124
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.1056625
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.0892526
Q8TEK3Histone-lysine N-methyltransferase, H3 lysine-79 specific (EC 2.1.1.43) (DOT1-like protein) (Histone ...Class I-like SAM-binding methyltransferase superfamily, DOT1 familyDOT1L84444;Homo sapiens (Human)1.0832427
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.080228
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)0.98998829
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.97040130
P13569Cystic fibrosis transmembrane conductance regulator (CFTR) (ATP-binding cassette sub-family C ...ABC transporter superfamily, ABCC family, CFTR transporter (TC 3.A.1.202) subfamilyCFTR1080;Homo sapiens (Human)0.97007931
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.95364532
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1I28856;Homo sapiens (Human)0.94084533
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.89277134
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyTYR7299;Homo sapiens (Human)0.88155335
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.86697136
P08069Insulin-like growth factor 1 receptor (EC 2.7.10.1) (Insulin-like growth factor ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyIGF1R3480;Homo sapiens (Human)0.85572337
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)0.85541838
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)0.84833239
Q9Y2I1Nischarin (Imidazoline receptor 1) (I-1) (IR1) (Imidazoline receptor antisera-selected protein) ...NISCH11188;Homo sapiens (Human)0.82188340
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.81761141
P25025C-X-C chemokine receptor type 2 (CXC-R2) (CXCR-2) (CDw128b) (GRO/MGSA receptor) ...G-protein coupled receptor 1 familyCXCR23579;Homo sapiens (Human)0.813842
P21964Catechol O-methyltransferase (EC 2.1.1.6)Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase familyCOMT1312;Homo sapiens (Human)0.80982843
P30968Gonadotropin-releasing hormone receptor (GnRH receptor) (GnRH-R)G-protein coupled receptor 1 familyGNRHR2798;Homo sapiens (Human)0.79832444
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)0.77533645
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.77164246
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)0.76369647
P282215-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) ...G-protein coupled receptor 1 familyHTR1D3352;Homo sapiens (Human)0.76180148
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...HIF1A3091;Homo sapiens (Human)0.75393149
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.75155850

[42] Untitled

Original SMILES:
COc1cc2CC[N+]([C@H]3c2c(c1OC)c1ccccc1C3)(C)C

Prepared SMILES:
COc1cc2CC[N+]([C@H]3c2c(c1OC)c1ccccc1C3)(C)C

P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)3.122891
P36544Neuronal acetylcholine receptor subunit alpha-7Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA71139;89832;Homo sapiens (Human)2.806052
P07437Tubulin beta chain (Tubulin beta-5 chain)Tubulin familyTUBB203068;Homo sapiens (Human)2.679243
P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)2.538174
P43681Neuronal acetylcholine receptor subunit alpha-4Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA41137;Homo sapiens (Human)2.446465
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)2.176656
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)2.165467
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)2.160028
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.135599
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)2.0856510
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)1.9522411
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.880812
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.7303113
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.726114
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.6507515
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.6184416
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.5631917
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.5444218
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.5260619
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)1.5158820
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.4850621
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.4299622
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.4295723
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)1.3608124
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.3571125
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.3347526
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.3158227
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)1.259728
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)1.2500929
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.2493530
O43497Voltage-dependent T-type calcium channel subunit alpha-1G (Cav3.1c) (NBR13) (Voltage-gated calcium ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1G subfamilyCACNA1G8913;Homo sapiens (Human)1.2484731
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.237732
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)1.2365933
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.1747534
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.1619535
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0991236
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.0854137
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)1.0661438
P25100Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamilyADRA1D146;Homo sapiens (Human)0.96861239
P35368Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamilyADRA1B147;Homo sapiens (Human)0.96772740
O75496GemininGeminin familyGMNN51053;Homo sapiens (Human)0.96215741
P282225-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ...G-protein coupled receptor 1 familyHTR1B3351;Homo sapiens (Human)0.94979442
P08684Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...Cytochrome P450 familyCYP3A41576;Homo sapiens (Human)0.93614143
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.92567944
O60755Galanin receptor type 3 (GAL3-R) (GALR-3)G-protein coupled receptor 1 familyGALR38484;Homo sapiens (Human)0.91515645
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.91471846
P478985-hydroxytryptamine receptor 5A (5-HT-5) (5-HT-5A) (5-HT5A) (Serotonin receptor 5A)G-protein coupled receptor 1 familyHTR5A3361;Homo sapiens (Human)0.88928547
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.88684548
P10145Interleukin-8 (IL-8) (C-X-C motif chemokine 8) (Chemokine (C-X-C motif) ligand ...Intercrine alpha (chemokine CxC) familyCXCL83576;Homo sapiens (Human)0.85161349
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.83058750

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
187802025-10-28
20:01:52		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50Download

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