Job ID(s):

Get results

Results

Download as: CSV TSV

CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

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

P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)4.322721
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)3.613672
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)3.426683
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)2.774234
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyOSBP223762;Homo sapiens (Human)2.468525
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)2.362386
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)2.335697
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)2.068098
P35398Nuclear receptor ROR-alpha (Nuclear receptor RZR-alpha) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORA6095;Homo sapiens (Human)2.066059
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)2.0268610
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)2.0088411
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)1.9747612
P02774Vitamin D-binding protein (DBP) (VDB) (Gc protein-derived macrophage activating factor) ...ALB/AFP/VDB familyGC2638;Homo sapiens (Human)1.9458113
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.9157214
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)1.7826815
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1H49971;Homo sapiens (Human)1.6283116
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.6070817
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)1.4804218
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.3959319
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.3617520
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)1.3493621
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)1.3358522
P32249G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ...G-protein coupled receptor 1 familyGPR1831880;Homo sapiens (Human)1.3137123
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)1.311324
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.3110225
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)1.3034326
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.2978827
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.2679128
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyNR1H310062;Homo sapiens (Human)1.2403229
Q12772Sterol regulatory element-binding protein 2 (SREBP-2) (Class D basic helix-loop-helix ...SREBP familySREBF26721;Homo sapiens (Human)1.1956530
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)1.1514431
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)1.1496932
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyDPP41803;Homo sapiens (Human)1.1423533
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.1416434
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.1287935
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.1063636
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.0996337
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)1.0984238
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.0734639
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.0653340
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.0501741
Q12908Ileal sodium/bile acid cotransporter (Apical sodium-dependent bile acid transporter) (ASBT) ...Bile acid:sodium symporter (BASS) (TC 2.A.28) familySLC10A26555;Homo sapiens (Human)1.0500242
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)1.0471843
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...ADAM176868;Homo sapiens (Human)1.0202844
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.0025245
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.0000846
Q9HBA0Transient receptor potential cation channel subfamily V member 4 (TrpV4) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV4 sub-subfamilyTRPV459341;Homo sapiens (Human)0.95818747
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)0.95296148
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.94185549
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1I28856;Homo sapiens (Human)0.91469750

[2] Untitled

Original SMILES:
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

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

P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)4.380951
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)3.426682
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)3.103983
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)2.774234
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyOSBP223762;Homo sapiens (Human)2.468525
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)2.446546
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)2.068097
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)2.029178
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.985749
P35398Nuclear receptor ROR-alpha (Nuclear receptor RZR-alpha) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORA6095;Homo sapiens (Human)1.9690810
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.9157211
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.8163912
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)1.7826813
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)1.7409814
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.6070815
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)1.598916
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)1.5067917
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.5054318
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)1.4480819
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)1.3493620
P02774Vitamin D-binding protein (DBP) (VDB) (Gc protein-derived macrophage activating factor) ...ALB/AFP/VDB familyGC2638;Homo sapiens (Human)1.3381921
P32249G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ...G-protein coupled receptor 1 familyGPR1831880;Homo sapiens (Human)1.3137122
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.2363723
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.1990424
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyNR1H310062;Homo sapiens (Human)1.1617625
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)1.1474326
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)1.1263427
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.126128
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.1063629
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.1002730
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)1.0984231
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1H49971;Homo sapiens (Human)1.0895632
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.0890833
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.0415634
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.99375835
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1I28856;Homo sapiens (Human)0.99215936
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)0.98902937
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)0.9875338
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)0.93749639
Q12772Sterol regulatory element-binding protein 2 (SREBP-2) (Class D basic helix-loop-helix ...SREBP familySREBF26721;Homo sapiens (Human)0.91380240
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)0.8994841
P78536Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ...ADAM176868;Homo sapiens (Human)0.8763742
Q92959Solute carrier organic anion transporter family member 2A1 (Prostaglandin transporter) ...Organo anion transporter (TC 2.A.60) familySLCO2A16578;Homo sapiens (Human)0.87152643
P55055Oxysterols receptor LXR-beta (Liver X receptor beta) (Nuclear receptor NER) ...Nuclear hormone receptor family, NR1 subfamilyNR1H27376;Homo sapiens (Human)0.86454444
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)0.84770645
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.84525946
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.83633247
Q9UHC9NPC1-like intracellular cholesterol transporter 1 (Niemann-Pick C1-like protein 1)Patched familyNPC1L129881;Homo sapiens (Human)0.83220848
Q9HBA0Transient receptor potential cation channel subfamily V member 4 (TrpV4) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV4 sub-subfamilyTRPV459341;Homo sapiens (Human)0.82303749
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)0.82185750

[3] Untitled

Original SMILES:
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

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

P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)3.426681
Q13509Tubulin beta-3 chain (Tubulin beta-4 chain) (Tubulin beta-III)Tubulin familyTUBB310381;Homo sapiens (Human)3.264062
O94811Tubulin polymerization-promoting protein (TPPP) (25 kDa brain-specific protein) (TPPP/p25) (p24) ...TPPP familyTPPP11076;Homo sapiens (Human)3.096913
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)2.774234
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyOSBP223762;Homo sapiens (Human)2.46852Known
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)2.443625
P01111GTPase NRas (Transforming protein N-Ras)Small GTPase superfamily, Ras familyNRAS4893;Homo sapiens (Human)2.270026
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)2.139087
P01116GTPase KRas (K-Ras 2) (Ki-Ras) (c-K-ras) (c-Ki-ras) [Cleaved into: GTPase ...Small GTPase superfamily, Ras familyKRAS3845;Homo sapiens (Human)2.098258
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)2.026289
Q9BY08Emopamil-binding protein-like (Emopamil-binding-related protein)EBP familyEBPL84650;Homo sapiens (Human)2.0240610
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)2.0088411
Q96LB1Mas-related G-protein coupled receptor member X2G-protein coupled receptor 1 family, Mas subfamilyMRGPRX2117194;Homo sapiens (Human)1.9409112
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.8782513
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.8480214
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)1.6716515
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)1.6189316
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)1.5571117
Q12772Sterol regulatory element-binding protein 2 (SREBP-2) (Class D basic helix-loop-helix ...SREBP familySREBF26721;Homo sapiens (Human)1.5228818
Q16850Lanosterol 14-alpha demethylase (LDM) (EC 1.14.14.154) (CYPLI) (Cytochrome P450 51A1) ...Cytochrome P450 familyCYP51A11595;Homo sapiens (Human)1.4691719
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)1.450120
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)1.4308621
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.4250422
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.4115123
P32249G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ...G-protein coupled receptor 1 familyGPR1831880;Homo sapiens (Human)1.3137124
Q9H4B7Tubulin beta-1 chainTubulin familyTUBB181027;Homo sapiens (Human)1.266625
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)1.2619226
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.2446127
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.2381728
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.2184729
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.2066830
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.188131
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)1.1706432
O95069Potassium channel subfamily K member 2 (Outward rectifying potassium channel ...Two pore domain potassium channel (TC 1.A.1.8) familyKCNK23776;Homo sapiens (Human)1.1312833
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)1.1162834
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.0859635
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.0820436
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.0624937
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0522238
P01112GTPase HRas (H-Ras-1) (Ha-Ras) (Transforming protein p21) (c-H-ras) (p21ras) [Cleaved ...Small GTPase superfamily, Ras familyHRAS3265;Homo sapiens (Human)1.0495939
Q9UBM77-dehydrocholesterol reductase (7-DHC reductase) (EC 1.3.1.21) (Putative sterol reductase SR-2) ...ERG4/ERG24 familyDHCR71717;Homo sapiens (Human)1.0243240
P51589Cytochrome P450 2J2 (EC 1.14.14.-) (Albendazole monooxygenase (hydroxylating)) (EC 1.14.14.74) ...Cytochrome P450 familyCYP2J21573;Homo sapiens (Human)1.0176841
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)1.0041742
P20815Cytochrome P450 3A5 (EC 1.14.14.1) (CYPIIIA5) (Cytochrome P450 HLp2) (Cytochrome ...Cytochrome P450 familyCYP3A51577;Homo sapiens (Human)0.98992343
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)0.97282244
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.97194545
P35398Nuclear receptor ROR-alpha (Nuclear receptor RZR-alpha) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORA6095;Homo sapiens (Human)0.94424946
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)0.93793847
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)0.93473548
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyNR1H310062;Homo sapiens (Human)0.92413249
Q5BJF2Sigma intracellular receptor 2 (Sigma-2 receptor) (Sigma2 receptor) (Meningioma-associated protein ...TMEM97/sigma-2 receptor familyTMEM9727346;Homo sapiens (Human)0.91749650
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)0.284281Known

[4] Untitled

Original SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC

Prepared SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC

O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)3.572381
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)3.047112
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)3.04263
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.842614
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)2.4635
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)2.294176
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)2.276337
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)2.271018
P16233Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)AB hydrolase superfamily, Lipase familyPNLIP5406;Homo sapiens (Human)2.208919
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)2.1515710
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)1.9488111
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)1.9213212
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.9140513
Q9HBW0Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR29170;Homo sapiens (Human)1.8530714
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.8524315
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)1.82316
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)1.7306917
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.6655218
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.6605919
Q13822Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) ...Nucleotide pyrophosphatase/phosphodiesterase familyENPP25168;Homo sapiens (Human)1.6337320
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.5976221
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.5947422
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.5886623
Q99677Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR42846;Homo sapiens (Human)1.529624
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)1.4933725
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.3734126
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3674527
P25105Platelet-activating factor receptor (PAF-R) (PAFr)G-protein coupled receptor 1 familyPTAFR5724;Homo sapiens (Human)1.3562228
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)1.3359129
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)1.292530
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.2866431
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.2101132
Q9BZJ6Probable G-protein coupled receptor 63 (PSP24-2) (PSP24-beta)G-protein coupled receptor 1 familyGPR6381491;Homo sapiens (Human)1.202433
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)1.1982234
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.193435
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.1861536
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.1752937
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.1739638
Q92633Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR11902;Homo sapiens (Human)1.1529439
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.1467340
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyGLO12739;Homo sapiens (Human)1.1174641
Q9H244P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...G-protein coupled receptor 1 familyP2RY1264805;Homo sapiens (Human)1.112142
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.1097943
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.1014844
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.0888245
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0740646
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)1.0531147
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.0254948
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.0243549
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.0169850

[5] Untitled

Original SMILES:
CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C

Prepared SMILES:
C/C(=C\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/CC/C=C(/CCC=C(C)C)\C

P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)3.149611
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)2.74312
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.401893
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)2.316394
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)2.313065
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)2.23366
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)2.141247
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.038948
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)2.018299
Q14534Squalene monooxygenase (EC 1.14.14.17) (Squalene epoxidase) (SE)Squalene monooxygenase familySQLE6713;Homo sapiens (Human)1.956610
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)1.9205111
Q9H1C0Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR557121;Homo sapiens (Human)1.9194812
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)1.8677613
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.7169514
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)1.7140715
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.7014416
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)1.6828317
P41252Isoleucine--tRNA ligase, cytoplasmic (EC 6.1.1.5) (Isoleucyl-tRNA synthetase) (IRS) (IleRS)Class-I aminoacyl-tRNA synthetase familyIARS3376;Homo sapiens (Human)1.6403618
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.6354919
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familySERPINA6866;Homo sapiens (Human)1.4999920
P04054Phospholipase A2 (EC 3.1.1.4) (Group IB phospholipase A2) (Phosphatidylcholine 2-acylhydrolase ...Phospholipase A2 familyPLA2G1B5319;Homo sapiens (Human)1.4878821
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)1.4614522
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)1.3396823
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.3194724
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyOSBP223762;Homo sapiens (Human)1.2870725
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyGGPS19453;Homo sapiens (Human)1.2822926
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.2519327
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.1950928
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.1865829
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.1777830
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)1.1745531
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.1326332
O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)1.129533
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.1284834
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.1123835
Q14330N-arachidonyl glycine receptor (NAGly receptor) (G-protein coupled receptor 18)G-protein coupled receptor 1 familyGPR182841;Homo sapiens (Human)1.0892136
P53602Diphosphomevalonate decarboxylase (EC 4.1.1.33) (Mevalonate (diphospho)decarboxylase) (MDDase) (Mevalonate pyrophosphate decarboxylase)Diphosphomevalonate decarboxylase familyMVD4597;Homo sapiens (Human)1.0823737
O00481Butyrophilin subfamily 3 member A1 (CD antigen CD277)Immunoglobulin superfamily, BTN/MOG familyBTN3A111119;Homo sapiens (Human)1.078238
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1I28856;Homo sapiens (Human)1.0569139
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.0518840
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)1.0121241
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)0.92957542
O75762Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ...Transient receptor (TC 1.A.4) familyTRPA18989;Homo sapiens (Human)0.91118743
Q9HBW0Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR29170;Homo sapiens (Human)0.9103944
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)0.89125845
P20839Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) ...IMPDH/GMPR familyIMPDH13614;Homo sapiens (Human)0.88664946
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.88449547
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)0.8819148
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)0.86612649
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)0.84699450

[6] Untitled

Original SMILES:
CCCC[C@@H](CC)COC(=O)C1=CC=CC=C1C(=O)OC[C@H](CC)CCCC

Prepared SMILES:
CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC

Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)4.761021
Q96C86m7GpppX diphosphatase (EC 3.6.1.59) (DCS-1) (Decapping scavenger enzyme) (Hint-related 7meGMP-directed ...HIT familyDCPS28960;Homo sapiens (Human)2.74522
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)2.496593
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)2.467424
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)2.170255
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.051886
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)2.050567
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.039298
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.957489
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)1.9521510
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)1.8247311
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)1.8011612
P43235Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)Peptidase C1 familyCTSK1513;Homo sapiens (Human)1.7912413
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.7790414
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)1.7587115
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.7252816
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)1.7193817
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.7105718
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.6777319
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)1.6692120
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.6384221
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)1.5877322
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)1.584523
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.5677224
O95399Urotensin-2 (Urotensin II) (U-II) (UII)Urotensin-2 familyUTS210911;Homo sapiens (Human)1.5613525
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.5316226
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.5085327
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.495428
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)1.4949229
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.471830
Q99808Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ...SLC29A/ENT transporter (TC 2.A.57) familySLC29A12030;Homo sapiens (Human)1.4686631
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.4250132
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.4242233
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.3913634
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)1.3551235
Q8N6T7NAD-dependent protein deacetylase sirtuin-6 (EC 3.5.1.-) (Regulatory protein SIR2 homolog ...Sirtuin family, Class IV subfamilySIRT651548;Homo sapiens (Human)1.3443936
P25774Cathepsin S (EC 3.4.22.27)Peptidase C1 familyCTSS1520;Homo sapiens (Human)1.3387337
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.3324638
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)1.3210839
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)1.3210840
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.3028941
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.3022642
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)1.2844443
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)1.2828544
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)1.2731445
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.2505646
Q16873Leukotriene C4 synthase (LTC4 synthase) (EC 4.4.1.20) (Leukotriene-C(4) synthase)MAPEG familyLTC4S4056;Homo sapiens (Human)1.2431747
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.2278948
Q96RI0Proteinase-activated receptor 4 (PAR-4) (Coagulation factor II receptor-like 3) (Thrombin ...G-protein coupled receptor 1 familyF2RL39002;Homo sapiens (Human)1.2174949
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.2102450

[7] Untitled

Original SMILES:
CC(=CCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C

Prepared SMILES:
CC(=CCc1c2occc2c(c2c1oc(=O)cc2)O)C

P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)2.157661
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.823732
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)1.806323
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)1.794134
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.734385
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)1.69616
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.673547
Q8N0U8Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1-like ...VKOR familyVKORC1L1154807;Homo sapiens (Human)1.626488
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)1.622329
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.6135310
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)1.5812911
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.5493512
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.5323113
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.52614
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.5243615
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.5189116
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.5181117
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.4722118
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.3776619
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.3410920
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.333821
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.3230422
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)1.2969623
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.2738824
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.259825
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.2510726
Q9ULX7Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1423632;Homo sapiens (Human)1.2348327
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.2089428
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)1.2081629
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)1.1433630
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.1407931
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyGGPS19453;Homo sapiens (Human)1.1162332
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)1.0891133
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.0773334
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.075635
Q9BQB6Vitamin K epoxide reductase complex subunit 1 (EC 1.17.4.4) (Vitamin ...VKOR familyVKORC179001;Homo sapiens (Human)1.0708536
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.060337
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.0476338
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.0454839
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)1.0217540
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)1.0155541
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)0.98232942
P20839Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) ...IMPDH/GMPR familyIMPDH13614;Homo sapiens (Human)0.96990743
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.96822944
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.96424345
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)0.9592746
Q14534Squalene monooxygenase (EC 1.14.14.17) (Squalene epoxidase) (SE)Squalene monooxygenase familySQLE6713;Homo sapiens (Human)0.95253147
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)0.94384448
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)0.93753949
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)0.9213350

[8] Untitled

Original SMILES:
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C

Prepared SMILES:
CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C

Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)3.395741
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)2.371282
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.84953
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)1.812274
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.772065
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)1.640726
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)1.541917
P47989Xanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase (XD) (EC 1.17.1.4); Xanthine oxidase ...Xanthine dehydrogenase familyXDH7498;Homo sapiens (Human)1.466748
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)1.418839
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.398710
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)1.390511
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)1.3824112
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)1.3338713
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)1.3099514
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)1.2529415
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)1.1257916
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.1130217
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)1.1110918
P16152Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ...Short-chain dehydrogenases/reductases (SDR) familyCBR1873;Homo sapiens (Human)1.0844219
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.0054620
P60568Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin)IL-2 familyIL23558;Homo sapiens (Human)0.98498221
P43490Nicotinamide phosphoribosyltransferase (NAmPRTase) (Nampt) (EC 2.4.2.12) (Pre-B-cell colony-enhancing factor 1) ...NAPRTase familyNAMPT10135;Homo sapiens (Human)0.96922222
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)0.96471923
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)0.95754524
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.95513425
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.95234926
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)0.92154827
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)0.88055228
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.872571Known
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...TNKS8658;Homo sapiens (Human)0.86402729
Q99527G-protein coupled estrogen receptor 1 (Chemoattractant receptor-like 2) (Flow-induced endothelial ...G-protein coupled receptor 1 familyGPER12852;Homo sapiens (Human)0.85688530
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.85024831
P50225Sulfotransferase 1A1 (ST1A1) (EC 2.8.2.1) (Aryl sulfotransferase 1) (HAST1/HAST2) (Phenol ...Sulfotransferase 1 familySULT1A16817;Homo sapiens (Human)0.8026732
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.80159633
P55789FAD-linked sulfhydryl oxidase ALR (EC 1.8.3.2) (Augmenter of liver regeneration) ...GFER2671;Homo sapiens (Human)0.79351634
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.7862935
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)0.76577636
P09488Glutathione S-transferase Mu 1 (EC 2.5.1.18) (GST HB subunit 4) ...GST superfamily, Mu familyGSTM12944;Homo sapiens (Human)0.75696237
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.75084238
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.75046539
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.75030440
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)0.74191741
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.7226642
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.71453543
P51151Ras-related protein Rab-9ASmall GTPase superfamily, Rab familyRAB9A9367;Homo sapiens (Human)0.71062444
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)0.70594145
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)0.70391246
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.69999947
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.69246648
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)RGS45999;Homo sapiens (Human)0.692449
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)0.68692150
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)0.55Known

[9] Untitled

Original SMILES:
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C

Prepared SMILES:
CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C

Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.473071
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.338862
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322833
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)2.23364
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)2.124945
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)2.089136
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)2.024687
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)2.02458
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)2.008779
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.9629510
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.9032611
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)1.8887612
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)1.8407713
Q9H1C0Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR557121;Homo sapiens (Human)1.7508514
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.7455615
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.7410816
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.7374517
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.7318518
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)1.7076219
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.7010220
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)1.5226721
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.512322
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)1.4603523
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.4470824
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)1.3358925
Q13177Serine/threonine-protein kinase PAK 2 (EC 2.7.11.1) (Gamma-PAK) (PAK65) (S6/H4 kinase) ...Protein kinase superfamily, STE Ser/Thr protein kinase family, STE20 subfamilyPAK25062;Homo sapiens (Human)1.2379726
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)1.2341727
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)1.1899428
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)1.1896629
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.1663330
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)1.1279131
Q09470Potassium voltage-gated channel subfamily A member 1 (Voltage-gated K(+) channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.1/KCNA1 sub-subfamilyKCNA13736;Homo sapiens (Human)1.1274732
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)1.1002433
P16455Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63) (6-O-methylguanine-DNA methyltransferase) (MGMT) (O-6-methylguanine-DNA-alkyltransferase)MGMT familyMGMT4255;Homo sapiens (Human)1.0993634
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)1.0765935
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)1.0759436
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.0527637
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.049338
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.045439
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.0399540
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.0399341
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0287642
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.0232343
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)1.0110344
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)1.0059545
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999446
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.99166947
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)0.9732748
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)0.95630749
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.93985950

[10] Untitled

Original SMILES:
CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C

Prepared SMILES:
COc1c2occc2c(c2c1oc(=O)cc2)OCC=C(C)C

P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.993721
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322832
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.316843
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)2.23364
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)2.042835
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)2.02456
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)2.009157
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.944918
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.903269
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.8244710
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.7391411
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)1.7314212
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)1.7076213
Q9H1C0Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR557121;Homo sapiens (Human)1.6722414
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.6465315
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)1.5764516
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.5226717
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.517218
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)1.5159219
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)1.4909720
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)1.4359221
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.4245722
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)1.4012423
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.3873524
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)1.3587425
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)1.3574226
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2827327
Q13177Serine/threonine-protein kinase PAK 2 (EC 2.7.11.1) (Gamma-PAK) (PAK65) (S6/H4 kinase) ...Protein kinase superfamily, STE Ser/Thr protein kinase family, STE20 subfamilyPAK25062;Homo sapiens (Human)1.280828
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)1.2696529
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.2601430
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.1949231
O75762Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ...Transient receptor (TC 1.A.4) familyTRPA18989;Homo sapiens (Human)1.1931632
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)1.1281533
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.1079434
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)1.0985335
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0406736
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)1.0395537
P16455Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63) (6-O-methylguanine-DNA methyltransferase) (MGMT) (O-6-methylguanine-DNA-alkyltransferase)MGMT familyMGMT4255;Homo sapiens (Human)1.0377538
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.0365939
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)1.0169440
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0154341
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999342
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.99129543
Q16696Cytochrome P450 2A13 (EC 1.14.14.1) (CYPIIA13)Cytochrome P450 familyCYP2A131553;Homo sapiens (Human)0.98900644
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.97193845
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.96365546
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)0.95920147
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)0.91614148
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)0.91176249
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)0.892950

[11] Untitled

Original SMILES:
CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C

Prepared SMILES:
COc1c2ccoc2c(c2c1ccc(=O)o2)OCC=C(C)C

P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.993721
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322832
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.316843
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)2.23364
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)2.042835
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)2.02456
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)2.009157
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.944918
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.903269
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.8244710
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.7391411
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)1.7314212
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)1.7076213
Q9H1C0Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR557121;Homo sapiens (Human)1.6722414
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.6465315
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)1.5764516
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.5226717
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.517218
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)1.5159219
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)1.4909720
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)1.4359221
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.4245722
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)1.4012423
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.3873524
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)1.3587425
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)1.3574226
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2827327
Q13177Serine/threonine-protein kinase PAK 2 (EC 2.7.11.1) (Gamma-PAK) (PAK65) (S6/H4 kinase) ...Protein kinase superfamily, STE Ser/Thr protein kinase family, STE20 subfamilyPAK25062;Homo sapiens (Human)1.280828
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)1.2696529
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.2601430
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.1949231
O75762Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ...Transient receptor (TC 1.A.4) familyTRPA18989;Homo sapiens (Human)1.1931632
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)1.1281533
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.1079434
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)1.0985335
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0406736
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)1.0395537
P16455Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63) (6-O-methylguanine-DNA methyltransferase) (MGMT) (O-6-methylguanine-DNA-alkyltransferase)MGMT familyMGMT4255;Homo sapiens (Human)1.0377538
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.0365939
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)1.0169440
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0154341
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999342
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.99129543
Q16696Cytochrome P450 2A13 (EC 1.14.14.1) (CYPIIA13)Cytochrome P450 familyCYP2A131553;Homo sapiens (Human)0.98900644
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.97193845
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.96365546
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)0.95920147
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)0.91614148
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)0.91176249
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)0.892950

[12] Untitled

Original SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCC

Prepared SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCC

O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)4.421221
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)2.839292
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)2.704633
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.521334
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)2.4635
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)2.409036
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)2.377867
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)2.276338
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)2.271019
P16233Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)AB hydrolase superfamily, Lipase familyPNLIP5406;Homo sapiens (Human)2.2089110
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)2.0551711
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)2.0467812
Q13822Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) ...Nucleotide pyrophosphatase/phosphodiesterase familyENPP25168;Homo sapiens (Human)2.0219213
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.9772414
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.9736715
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.9661416
Q9HBW0Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR29170;Homo sapiens (Human)1.8530717
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.8524318
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)1.7762319
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.7621720
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)1.6533521
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)1.5996122
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.5923623
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)1.5861324
Q99677Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR42846;Homo sapiens (Human)1.529625
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.4976426
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)1.4886527
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)1.4829328
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.4769729
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.4679930
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.4545631
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.4529132
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.4192133
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyGLO12739;Homo sapiens (Human)1.3829834
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.3734135
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3674536
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.3632137
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.3475438
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.3292739
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)1.3033440
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.2691641
P25105Platelet-activating factor receptor (PAF-R) (PAFr)G-protein coupled receptor 1 familyPTAFR5724;Homo sapiens (Human)1.2603942
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.2586343
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)1.2525944
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)1.2420545
Q9ULY5C-type lectin domain family 4 member E (C-type lectin superfamily ...CLEC4E26253;Homo sapiens (Human)1.2368746
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)1.2294947
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.219448
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)1.2166949
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.2028250

[13] Untitled

Original SMILES:
CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C

Prepared SMILES:
CC(=CCc1c2ccc(=O)oc2c(c2c1cco2)O)C

P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.371991
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.087952
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.87933
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.845574
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.827525
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)1.806326
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)1.794137
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.691598
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)1.660649
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.6569210
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.641511
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)1.6127212
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.5982613
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.5070114
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.5035915
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.4871516
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.4863717
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.4722118
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.4265419
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)1.3713420
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3654521
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.3383622
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.310723
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)1.2900124
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.255825
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.2472426
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)1.2296527
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)1.2081628
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.2078329
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.2052430
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)1.1899431
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
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)1.1215533
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...PARP1142;Homo sapiens (Human)1.1118934
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.1051235
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyGGPS19453;Homo sapiens (Human)1.0928936
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)1.0628537
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.054838
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.0531139
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.0257340
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.025141
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)1.0223142
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.99612743
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.98795744
P20839Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) ...IMPDH/GMPR familyIMPDH13614;Homo sapiens (Human)0.94962745
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)0.93921246
Q14534Squalene monooxygenase (EC 1.14.14.17) (Squalene epoxidase) (SE)Squalene monooxygenase familySQLE6713;Homo sapiens (Human)0.93261447
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)0.91903448
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)0.91793549
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.90780750

[14] Untitled

Original SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO

Prepared SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO

O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)3.656651
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)3.047112
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)2.835163
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)2.775584
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)2.637745
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.521336
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)2.349767
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)2.316398
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)2.271019
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)2.2168910
P16233Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)AB hydrolase superfamily, Lipase familyPNLIP5406;Homo sapiens (Human)2.2089111
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)2.0752912
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)2.0699213
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)2.0527914
Q9HBW0Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR29170;Homo sapiens (Human)2.003115
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)1.9953316
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.9654717
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.9111918
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.7988919
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.793720
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.7904521
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)1.6915122
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.6895523
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.6644124
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)1.6379625
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.6116626
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.5989827
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.5819328
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)1.5362429
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)1.5239130
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.5238831
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)1.5068632
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.4667433
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.4559334
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.4431735
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.4346436
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.4335137
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.4197838
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3674539
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.3578540
Q99677Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR42846;Homo sapiens (Human)1.3576241
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)1.35542
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.3365343
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.2082644
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)1.2080845
Q9BZJ6Probable G-protein coupled receptor 63 (PSP24-2) (PSP24-beta)G-protein coupled receptor 1 familyGPR6381491;Homo sapiens (Human)1.202446
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)1.1969147
P32320Cytidine deaminase (EC 3.5.4.5) (Cytidine aminohydrolase)Cytidine and deoxycytidylate deaminase familyCDA978;Homo sapiens (Human)1.1615848
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)1.1406649
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.1291750

[15] Untitled

Original SMILES:
CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O

Prepared SMILES:
COc1c2ccoc2c(c2c1ccc(=O)o2)OCC(C(=C)C)O

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)3.882151
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)3.512722
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.84443
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)2.5084
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322835
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.167386
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)2.02457
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.911118
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)1.877049
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.7454710
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.7341611
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)1.7076212
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.7032213
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.622314
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)1.5052515
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.3906916
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.3631817
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)1.3348518
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)1.3334719
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.3165920
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)1.2827521
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2751722
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)1.2696523
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)1.2605724
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.2331625
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.2304726
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.1649827
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.1040328
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)1.129
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)1.0760830
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)1.0608831
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0498432
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.025733
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)1.0187134
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.001335
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)1.0009336
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999337
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.99129538
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)0.98953539
Q16696Cytochrome P450 2A13 (EC 1.14.14.1) (CYPIIA13)Cytochrome P450 familyCYP2A131553;Homo sapiens (Human)0.98900640
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.98867741
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.95516642
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)0.95177343
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)0.94222244
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)0.92840745
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)0.90116546
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.87257147
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.82649848
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)0.82622149
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.81519850

[16] Untitled

Original SMILES:
CC(=C)[C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O

Prepared SMILES:
O=c1ccc2c(o1)cc1c(c2OC[C@H](C(=C)C)O)cco1

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)3.882151
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)3.227282
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)2.482773
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322834
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.28055
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.19976
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)1.948387
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)1.92738
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)1.877379
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)1.8418710
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.8417511
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.8164312
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.8080813
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)1.7076214
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.699515
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.6077816
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.4542217
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)1.4338518
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.426819
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)1.3563220
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.3537821
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.336922
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.2376423
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.2318524
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.2171525
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)1.2134826
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.1620927
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.1609428
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.117629
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.111930
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)1.131
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)1.0966232
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.0484433
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)1.0353534
Q09470Potassium voltage-gated channel subfamily A member 1 (Voltage-gated K(+) channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.1/KCNA1 sub-subfamilyKCNA13736;Homo sapiens (Human)1.033835
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)1.0110336
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999437
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.9871138
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)0.98039839
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.97147440
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)0.97015841
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.95471942
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.95355743
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.93784644
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)0.93305245
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)0.90977746
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)0.85596347
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)0.84292548
P29275Adenosine receptor A2bG-protein coupled receptor 1 familyADORA2B136;Homo sapiens (Human)0.84158949
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyPTGDR211251;Homo sapiens (Human)0.8316150

[17] Untitled

Original SMILES:
CC1([C@H](O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C

Prepared SMILES:
COc1c2ccoc2c(c2c1ccc(=O)o2)OC[C@H]1OC1(C)C

P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)3.077461
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.39282
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322833
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)2.072834
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)2.02455
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.93946
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)1.915637
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.842518
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)1.773099
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.7556710
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)1.7076211
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)1.6527712
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.6315713
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.5503514
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.5435215
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)1.5354516
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.5009617
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.4952818
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)1.4559519
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)1.4213120
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)1.3910421
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)1.3763522
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)1.3370623
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.3174624
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyNR1H310062;Homo sapiens (Human)1.3168825
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)1.2881926
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)1.2874827
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.2844428
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.2270629
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.2269930
P55055Oxysterols receptor LXR-beta (Liver X receptor beta) (Nuclear receptor NER) ...Nuclear hormone receptor family, NR1 subfamilyNR1H27376;Homo sapiens (Human)1.2183831
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.1904732
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.1754333
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.1313834
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)1.1220435
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.1158936
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)1.1074337
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.0976438
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.0971239
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)1.0665240
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.0629541
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)1.0453242
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)1.0021343
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999344
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)0.99542745
Q16696Cytochrome P450 2A13 (EC 1.14.14.1) (CYPIIA13)Cytochrome P450 familyCYP2A131553;Homo sapiens (Human)0.98900646
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)0.98638847
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.97458548
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)0.97281649
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)0.97100150

[18] Untitled

Original SMILES:
CCCCCCCCC/C=C\\CCCCCCC(=O)OCCCO

Prepared SMILES:
CCCCCCCCC/C=C\CCCCCCC(=O)OCCCO

O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)3.656991
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)3.616822
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)3.038513
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.827314
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)2.704635
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)2.402896
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)2.349987
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)2.276338
P16233Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)AB hydrolase superfamily, Lipase familyPNLIP5406;Homo sapiens (Human)2.208919
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)2.0467810
Q9HBW0Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR29170;Homo sapiens (Human)2.003111
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)212
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.8808113
P35610Sterol O-acyltransferase 1 (EC 2.3.1.26) (Acyl-coenzyme A:cholesterol acyltransferase 1) (ACAT-1) ...Membrane-bound acyltransferase family, Sterol o-acyltransferase subfamilySOAT16646;Homo sapiens (Human)1.8756314
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.8748415
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.8524316
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)1.8335617
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.7956518
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.7904519
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.7498920
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.7188521
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.6909922
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.6567223
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)1.6462124
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.5991925
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.5958826
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.5911527
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.5844628
Q99677Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR42846;Homo sapiens (Human)1.529629
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.4857530
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)1.4602731
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)1.4524232
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.383233
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3674534
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)1.3591135
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.3580336
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.343537
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)1.3229238
Q92633Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR11902;Homo sapiens (Human)1.3139339
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)1.2873240
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.2809941
P25105Platelet-activating factor receptor (PAF-R) (PAFr)G-protein coupled receptor 1 familyPTAFR5724;Homo sapiens (Human)1.277842
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.2684343
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.2426644
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.2391345
P03956Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ...Peptidase M10A familyMMP14312;Homo sapiens (Human)1.2331546
Q14534Squalene monooxygenase (EC 1.14.14.17) (Squalene epoxidase) (SE)Squalene monooxygenase familySQLE6713;Homo sapiens (Human)1.2098447
Q9BZJ6Probable G-protein coupled receptor 63 (PSP24-2) (PSP24-beta)G-protein coupled receptor 1 familyGPR6381491;Homo sapiens (Human)1.202448
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.1926149
Q04760Lactoylglutathione lyase (EC 4.4.1.5) (Aldoketomutase) (Glyoxalase I) (Glx I) (Ketone-aldehyde ...Glyoxalase I familyGLO12739;Homo sapiens (Human)1.1911250

[19] Untitled

Original SMILES:
CC(C)([C@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O

Prepared SMILES:
O=c1ccc2c(o1)cc1c(c2OC[C@@H](C(O)(C)C)O)cco1

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)3.882151
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)3.254832
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.482933
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.395074
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)2.328235
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322836
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)2.124947
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)2.06318
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)2.008779
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.9729710
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.9667511
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.9495412
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)1.8773713
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.7463214
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)1.7076215
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.699516
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.58617
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.5214918
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.4663819
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyFDPS2224;Homo sapiens (Human)1.4591720
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.439821
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)1.4037322
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.3481523
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.3418424
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)1.3373125
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)1.3133726
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.2609227
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.2393928
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.2259229
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.2223730
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.214131
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)1.1969532
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.1824933
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.1374134
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)1.1291735
Q09470Potassium voltage-gated channel subfamily A member 1 (Voltage-gated K(+) channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.1/KCNA1 sub-subfamilyKCNA13736;Homo sapiens (Human)1.1274736
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)1.1063737
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)1.138
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)1.0563639
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.0483340
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.0473841
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0428542
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)1.0110343
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999444
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)0.99221845
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.9662446
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)0.91079747
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)0.9072248
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.90568449
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)0.87441650

[20] Untitled

Original SMILES:
CC1(C)O[C@@H]1COC1=C2C=COC2=C(CO[C@H]2OC2(C)C)C2=C1C=CC(=O)O2

Prepared SMILES:
O=c1ccc2c(o1)c(CO[C@H]1OC1(C)C)c1c(c2OC[C@H]2OC2(C)C)cco1

P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.418721
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.23862
P55055Oxysterols receptor LXR-beta (Liver X receptor beta) (Nuclear receptor NER) ...Nuclear hormone receptor family, NR1 subfamilyNR1H27376;Homo sapiens (Human)2.165143
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyNR1H310062;Homo sapiens (Human)2.148054
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)2.040235
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.935966
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.869097
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.84958
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.830799
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.7814610
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)1.7076211
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)1.6962812
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)1.686213
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.6749414
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.6193715
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)1.6031516
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.5385617
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.5299718
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)1.4824519
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)1.4738820
P22459Potassium voltage-gated channel subfamily A member 4 (HPCN2) (Voltage-gated K(+) ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.4/KCNA4 sub-subfamilyKCNA43739;Homo sapiens (Human)1.4607621
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)1.435422
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.3904823
Q96RP8Potassium voltage-gated channel subfamily A member 7 (Voltage-gated potassium channel ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.7/KCNA7 sub-subfamilyKCNA73743;Homo sapiens (Human)1.380924
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)1.3425
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)1.3325826
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)1.327827
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.3191728
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)1.2887729
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.2640130
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.260831
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.2419632
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.2042333
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)1.2020134
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)1.1803335
P43235Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)Peptidase C1 familyCTSK1513;Homo sapiens (Human)1.1330436
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.0881837
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)1.0780838
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.0625739
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)1.0394840
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0358341
P25774Cathepsin S (EC 3.4.22.27)Peptidase C1 familyCTSS1520;Homo sapiens (Human)1.0297942
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)1.0181543
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999444
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)0.98840545
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)0.98097846
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)0.96620947
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)0.96606148
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)0.93873649
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)0.936250

[21] Untitled

Original SMILES:
CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC

Prepared SMILES:
CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC

O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)4.525291
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)3.083172
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)3.047113
P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)2.959064
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)2.94355
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)2.672436
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.521337
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)2.4638
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.327419
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)2.2763310
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)2.2570411
P16233Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)AB hydrolase superfamily, Lipase familyPNLIP5406;Homo sapiens (Human)2.2089112
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)2.0736813
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)2.0467814
Q9HBW0Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR29170;Homo sapiens (Human)1.8530715
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)1.8480516
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.7886717
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.748918
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.6990119
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)1.6695720
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.6655221
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)1.5582122
Q13822Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) ...Nucleotide pyrophosphatase/phosphodiesterase familyENPP25168;Homo sapiens (Human)1.5461923
Q99677Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR42846;Homo sapiens (Human)1.4615124
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.4412425
Q92633Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR11902;Homo sapiens (Human)1.4052926
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)1.4018827
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.3734128
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3674529
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)1.3595530
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)1.3523531
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.3291232
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.3251933
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.312434
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.2945935
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.2804136
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.2397137
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)1.2033938
Q9BZJ6Probable G-protein coupled receptor 63 (PSP24-2) (PSP24-beta)G-protein coupled receptor 1 familyGPR6381491;Homo sapiens (Human)1.202439
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.1978440
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.1793541
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)1.163642
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)1.1593143
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.1097944
P07858Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...Peptidase C1 familyCTSB1508;Homo sapiens (Human)1.0531345
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.021746
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)1.0089247
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)0.98868648
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)0.95560949
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.93465150

[22] Untitled

Original SMILES:
CC1([C@@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C

Prepared SMILES:
O=c1ccc2c(o1)c(OC[C@@H]1OC1(C)C)c1c(c2)cco1

P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.37751
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)2.322832
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyNR1H310062;Homo sapiens (Human)2.148053
P55055Oxysterols receptor LXR-beta (Liver X receptor beta) (Nuclear receptor NER) ...Nuclear hormone receptor family, NR1 subfamilyNR1H27376;Homo sapiens (Human)2.131224
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)2.075
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)2.058516
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)1.891087
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.872068
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.84959
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.8280310
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.8136611
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)1.7955312
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)1.795513
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.6733414
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)1.6315715
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.5659516
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)1.5623317
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)1.5621818
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.5511419
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.4020620
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)1.3060321
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.2135422
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)1.1523523
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)1.1430524
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.1145925
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.1111426
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)1.1013527
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.0950628
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)1.09529
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.0629530
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)1.0548231
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyF102159;Homo sapiens (Human)1.0195332
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.0180633
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)1.008334
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)1.0020135
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.99999336
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.99971337
P11509Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ...Cytochrome P450 familyCYP2A61548;Homo sapiens (Human)0.99542738
Q16696Cytochrome P450 2A13 (EC 1.14.14.1) (CYPIIA13)Cytochrome P450 familyCYP2A131553;Homo sapiens (Human)0.98900639
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.97082440
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.9397341
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)0.90883342
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.89341143
Q03181Peroxisome proliferator-activated receptor delta (PPAR-delta) (NUCI) (Nuclear hormone receptor 1) ...Nuclear hormone receptor family, NR1 subfamilyPPARD5467;Homo sapiens (Human)0.88910644
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)0.88235145
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)0.87766146
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.87257147
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.87071448
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)0.86194449
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)0.86137350

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
207722026-02-27
10:06:24		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

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 383449 | Page view: 2706166

Copyright © 2019-2023 Laboratory of Molecular Modeling and Design, School of Pharmacy,
East China University of Science and Technology. All rights reserved.