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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC

Prepared SMILES:
COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC

P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)3.126491
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.630762
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.610693
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.551944
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)2.468725
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)2.389696
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)2.296697
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)2.076618
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.050089
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)2.0465610
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)1.8981711
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.8479512
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.7321213
Q02880DNA topoisomerase 2-beta (EC 5.6.2.3) (DNA topoisomerase II, beta isozyme)Type II topoisomerase familyTOP2B7155;Homo sapiens (Human)1.7151314
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...TNKS8658;Homo sapiens (Human)1.6752215
O60911Cathepsin L2 (EC 3.4.22.43) (Cathepsin U) (Cathepsin V)Peptidase C1 familyCTSV1515;Homo sapiens (Human)1.5593116
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.5518617
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)1.5046618
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.4926719
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)1.4563520
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)1.4562921
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.3688922
P06239Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLCK3932;Homo sapiens (Human)1.3609823
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.3564124
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.3539325
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.3179926
Q08499cAMP-specific 3',5'-cyclic phosphodiesterase 4D (EC 3.1.4.53) (DPDE3) (PDE43)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4D5144;Homo sapiens (Human)1.2896827
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.2842128
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.2800629
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.2783330
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.2038131
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.1540432
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.1358433
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.1222434
Q02127Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase)Dihydroorotate dehydrogenase family, Type 2 subfamilyDHODH1723;Homo sapiens (Human)1.1123735
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)1.0927536
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)1.0725537
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)1.0625138
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.0540239
Q07343cAMP-specific 3',5'-cyclic phosphodiesterase 4B (EC 3.1.4.53) (DPDE4) (PDE32)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4B5142;Homo sapiens (Human)1.0462440
Q08493cAMP-specific 3',5'-cyclic phosphodiesterase 4C (EC 3.1.4.53) (DPDE1) (PDE21)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4C5143;Homo sapiens (Human)1.0357541
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.99759542
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)0.98965943
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)0.97242944
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)0.95740845
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)0.94376746
P29371Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ...G-protein coupled receptor 1 familyTACR36870;Homo sapiens (Human)0.93958947
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)0.8897848
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)0.88438649
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)0.8805850

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
197662025-12-16
15:06:29		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50Download

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