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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

Prepared SMILES:
OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O

Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)3.842751
P27169Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ...Paraoxonase familyPON15444;Homo sapiens (Human)3.20732
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)2.945253
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)2.892334
Q99808Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ...SLC29A/ENT transporter (TC 2.A.57) familySLC29A12030;Homo sapiens (Human)2.833195
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)2.76346
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyAMY2A279;Homo sapiens (Human)2.522887
P25105Platelet-activating factor receptor (PAF-R) (PAFr)G-protein coupled receptor 1 familyPTAFR5724;Homo sapiens (Human)2.219868
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)2.077669
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)2.0658710
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)2.057611
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)2.0544612
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)2.0357513
Q15904V-type proton ATPase subunit S1 (V-ATPase subunit S1) (Protein XAP-3) ...Vacuolar ATPase subunit S1 familyATP6AP1537;Homo sapiens (Human)214
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.9720115
Q9HCG7Non-lysosomal glucosylceramidase (NLGase) (EC 3.2.1.45) (Beta-glucocerebrosidase 2) (Beta-glucosidase 2) (Bile ...Non-lysosomal glucosylceramidase familyGBA257704;Homo sapiens (Human)1.9511716
P32320Cytidine deaminase (EC 3.5.4.5) (Cytidine aminohydrolase)Cytidine and deoxycytidylate deaminase familyCDA978;Homo sapiens (Human)1.8545117
P43235Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X)Peptidase C1 familyCTSK1513;Homo sapiens (Human)1.7872218
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)1.7712519
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.6844120
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.6760221
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.6638522
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)1.635623
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)1.5749924
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.5661125
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)1.5443726
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)1.516427
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)1.4898728
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.4500129
P25774Cathepsin S (EC 3.4.22.27)Peptidase C1 familyCTSS1520;Homo sapiens (Human)1.4471330
P45452Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)Peptidase M10A familyMMP134322;Homo sapiens (Human)1.4302531
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.426432
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.4252933
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.3956434
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)1.3672735
P12872Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]Motilin familyMLN4295;Homo sapiens (Human)1.3652436
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.3502137
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)1.3239938
O43193Motilin receptor (G-protein coupled receptor 38)G-protein coupled receptor 1 familyMLNR2862;Homo sapiens (Human)1.320939
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)1.3176740
O60502Protein O-GlcNAcase (OGA) (EC 3.2.1.169) (Beta-N-acetylglucosaminidase) (Beta-N-acetylhexosaminidase) (Beta-hexosaminidase) (Meningioma-expressed antigen ...Glycosyl hydrolase 84 familyOGA10724;Homo sapiens (Human)1.3153641
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyP2RY149934;Homo sapiens (Human)1.2617842
Q16706Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ...Glycosyl hydrolase 38 familyMAN2A14124;Homo sapiens (Human)1.250643
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)1.2473344
P08311Cathepsin G (CG) (EC 3.4.21.20)Peptidase S1 familyCTSG1511;Homo sapiens (Human)1.2396445
Q15077P2Y purinoceptor 6 (P2Y6)G-protein coupled receptor 1 familyP2RY65031;Homo sapiens (Human)1.2055346
O43451Maltase-glucoamylase, intestinal [Includes: Maltase (EC 3.2.1.20) (Alpha-glucosidase); Glucoamylase (EC 3.2.1.3) ...Glycosyl hydrolase 31 familyMGAM8972;Homo sapiens (Human)1.188847
Q96LB1Mas-related G-protein coupled receptor member X2G-protein coupled receptor 1 family, Mas subfamilyMRGPRX2117194;Homo sapiens (Human)1.1829648
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.1798849
P14780Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ...Peptidase M10A familyMMP94318;Homo sapiens (Human)1.1620250
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)1.1600551
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.1593852
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.1428753
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)1.1350454
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)1.1355
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)1.1264356
Q96RI0Proteinase-activated receptor 4 (PAR-4) (Coagulation factor II receptor-like 3) (Thrombin ...G-protein coupled receptor 1 familyF2RL39002;Homo sapiens (Human)1.1257757
P51582P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)G-protein coupled receptor 1 familyP2RY45030;Homo sapiens (Human)1.1012558
P00734Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ...Peptidase S1 familyF22147;Homo sapiens (Human)1.1003559
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.0971460
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)1.0965361
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)1.0743762
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.0632663
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)1.0530764
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.0470365
P05231Interleukin-6 (IL-6) (B-cell stimulatory factor 2) (BSF-2) (CTL differentiation factor) ...IL-6 superfamilyIL63569;Homo sapiens (Human)1.0444166
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.0424367
P14410Sucrase-isomaltase, intestinal [Cleaved into: Sucrase (EC 3.2.1.48); Isomaltase (EC 3.2.1.10)]Glycosyl hydrolase 31 familySI6476;Homo sapiens (Human)1.0418168
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.0412369
P08254Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1)Peptidase M10A familyMMP34314;Homo sapiens (Human)1.017170
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.0100971
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)0.9888772
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)0.98767573
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)0.97287874
Q14416Metabotropic glutamate receptor 2 (mGluR2)G-protein coupled receptor 3 familyGRM22912;Homo sapiens (Human)0.97074675
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)0.95008376
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyGAA2548;Homo sapiens (Human)0.94706577
P11413Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)Glucose-6-phosphate dehydrogenase familyG6PD2539;Homo sapiens (Human)0.94458778
P10323Acrosin (EC 3.4.21.10) [Cleaved into: Acrosin light chain; Acrosin heavy ...Peptidase S1 familyACR49;Homo sapiens (Human)0.92388779
Q13887Krueppel-like factor 5 (Basic transcription element-binding protein 2) (BTE-binding protein ...Krueppel C2H2-type zinc-finger protein familyKLF5688;Homo sapiens (Human)0.91880480
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)0.91664881
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)0.91266382
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.91210383
P04183Thymidine kinase, cytosolic (EC 2.7.1.21)Thymidine kinase familyTK17083;Homo sapiens (Human)0.91154584
P04062Lysosomal acid glucosylceramidase (Lysosomal acid GCase) (EC 3.2.1.45) (Acid beta-glucosidase) ...Glycosyl hydrolase 30 familyGBA2629;Homo sapiens (Human)0.90991285
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)0.90269786
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)0.8885987
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)0.88784488
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)0.88595489
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)0.87864590
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.87160691
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)0.86968492
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyGRM12911;Homo sapiens (Human)0.86698693
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)0.8645194
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)0.85642295
P07477Trypsin-1 (EC 3.4.21.4) (Beta-trypsin) (Cationic trypsinogen) (Serine protease 1) (Trypsin ...Peptidase S1 familyPRSS15644;Homo sapiens (Human)0.84995796
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyDPP41803;Homo sapiens (Human)0.84127797
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.83737798
P55263Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)Carbohydrate kinase PfkB familyADK132;Homo sapiens (Human)0.83714699
P14902Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase)Indoleamine 2,3-dioxygenase familyIDO13620;Homo sapiens (Human)0.827001100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
193722025-11-21
13:46:10		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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