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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O)C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2O

Prepared SMILES:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)OC)O

P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)3.512841
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)3.043982
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)2.892333
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)2.496474
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)2.298735
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.264476
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)2.170897
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)2.168048
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)2.087479
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.0414310
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.9428311
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)1.918912
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)1.8600113
Q9NY33Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ...Peptidase M49 familyDPP310072;Homo sapiens (Human)1.7468214
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)1.6159815
P05121Plasminogen activator inhibitor 1 (PAI) (PAI-1) (Endothelial plasminogen activator inhibitor) ...Serpin familySERPINE15054;Homo sapiens (Human)1.5517216
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)1.4730217
Q8WWX8Sodium/myo-inositol cotransporter 2 (Na(+)/myo-inositol cotransporter 2) (Sodium-dependent glucose cotransporter) (Sodium/glucose ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A11115584;Homo sapiens (Human)1.4202218
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.4200819
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.3934220
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)1.3175921
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)1.2857222
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.2787523
Q9UM73ALK tyrosine kinase receptor (EC 2.7.10.1) (Anaplastic lymphoma kinase) (CD ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyALK238;Homo sapiens (Human)1.2327924
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.2061525
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.1837626
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)1.1687727
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)1.1645728
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...TNKS8658;Homo sapiens (Human)1.1562629
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)1.1453430
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)1.1436931
P32320Cytidine deaminase (EC 3.5.4.5) (Cytidine aminohydrolase)Cytidine and deoxycytidylate deaminase familyCDA978;Homo sapiens (Human)1.1285732
P20839Inosine-5'-monophosphate dehydrogenase 1 (IMP dehydrogenase 1) (IMPD 1) (IMPDH 1) ...IMPDH/GMPR familyIMPDH13614;Homo sapiens (Human)1.1173433
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.0648634
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.0534435
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.0474236
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.0422437
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.039238
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)1.034839
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.98556140
P29371Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ...G-protein coupled receptor 1 familyTACR36870;Homo sapiens (Human)0.97409141
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.95141242
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)0.93913543
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.87437144
Q99808Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ...SLC29A/ENT transporter (TC 2.A.57) familySLC29A12030;Homo sapiens (Human)0.8369745
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.80517646
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)0.78797447
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A16523;Homo sapiens (Human)0.78796548
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.78002949
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyNQO24835;Homo sapiens (Human)0.77860650
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)0.7657551
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.7646652
Q16706Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ...Glycosyl hydrolase 38 familyMAN2A14124;Homo sapiens (Human)0.75153553
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)0.74372654
P37059Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B23294;Homo sapiens (Human)0.74318555
Q02127Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase)Dihydroorotate dehydrogenase family, Type 2 subfamilyDHODH1723;Homo sapiens (Human)0.73936856
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)0.73450157
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyFOLH12346;Homo sapiens (Human)0.73382158
P49763Placenta growth factor (PlGF)PDGF/VEGF growth factor familyPGF5228;Homo sapiens (Human)0.73303459
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)0.72567760
Q9HCG7Non-lysosomal glucosylceramidase (NLGase) (EC 3.2.1.45) (Beta-glucocerebrosidase 2) (Beta-glucosidase 2) (Bile ...Non-lysosomal glucosylceramidase familyGBA257704;Homo sapiens (Human)0.71938961
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.70393862
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.69838863
P05091Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI)Aldehyde dehydrogenase familyALDH2217;Homo sapiens (Human)0.69533764
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)0.68585465
P05231Interleukin-6 (IL-6) (B-cell stimulatory factor 2) (BSF-2) (CTL differentiation factor) ...IL-6 superfamilyIL63569;Homo sapiens (Human)0.68295966
P00813Adenosine deaminase (EC 3.5.4.4) (Adenosine aminohydrolase)Metallo-dependent hydrolases superfamily, Adenosine and AMP deaminases familyADA100;Homo sapiens (Human)0.6788467
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)0.67625468
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.66883669
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.66825270
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)0.65855871
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)0.64087372
P21453Sphingosine 1-phosphate receptor 1 (S1P receptor 1) (S1P1) (Endothelial differentiation ...G-protein coupled receptor 1 familyS1PR11901;Homo sapiens (Human)0.62884173
Q8N0U8Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1-like ...VKOR familyVKORC1L1154807;Homo sapiens (Human)0.62525474
O43451Maltase-glucoamylase, intestinal [Includes: Maltase (EC 3.2.1.20) (Alpha-glucosidase); Glucoamylase (EC 3.2.1.3) ...Glycosyl hydrolase 31 familyMGAM8972;Homo sapiens (Human)0.62276775
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)0.62001176
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)0.61999277
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)0.61936478
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)0.60578679
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.59597480
P14555Phospholipase A2, membrane associated (EC 3.1.1.4) (GIIC sPLA2) (Group IIA ...Phospholipase A2 familyPLA2G2A5320;Homo sapiens (Human)0.59462281
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)0.59246382
Q9UL62Short transient receptor potential channel 5 (TrpC5) (Transient receptor protein ...Transient receptor (TC 1.A.4) family, STrpC subfamily, TRPC5 sub-subfamilyTRPC57224;Homo sapiens (Human)0.58941883
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)0.58733584
P35368Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamilyADRA1B147;Homo sapiens (Human)0.58221385
P42345Serine/threonine-protein kinase mTOR (EC 2.7.11.1) (FK506-binding protein 12-rapamycin complex-associated protein ...PI3/PI4-kinase familyMTOR2475;Homo sapiens (Human)0.58199286
P55263Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)Carbohydrate kinase PfkB familyADK132;Homo sapiens (Human)0.58100387
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)0.58039788
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)0.575989
P04183Thymidine kinase, cytosolic (EC 2.7.1.21)Thymidine kinase familyTK17083;Homo sapiens (Human)0.57410790
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)0.56586891
P504065-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)G-protein coupled receptor 1 familyHTR63362;Homo sapiens (Human)0.56426592
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)0.56050393
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyP2RY149934;Homo sapiens (Human)0.55130394
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)0.54993195
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)0.5496496
P12268Inosine-5'-monophosphate dehydrogenase 2 (IMP dehydrogenase 2) (IMPD 2) (IMPDH 2) ...IMPDH/GMPR familyIMPDH23615;Homo sapiens (Human)0.54714597
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.54583498
P18031Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ...Protein-tyrosine phosphatase family, Non-receptor class 1 subfamilyPTPN15770;Homo sapiens (Human)0.54549199
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)0.534606100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192992025-11-18
10:19:58		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 100Download

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