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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C[C@]12CC[C@@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O  

Prepared SMILES:
O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@@](C)(CC1)C(=O)O)C)C)C

Q96LB1Mas-related G-protein coupled receptor member X2G-protein coupled receptor 1 family, Mas subfamilyMRGPRX2117194;Homo sapiens (Human)3.584741
P27169Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ...Paraoxonase familyPON15444;Homo sapiens (Human)3.578972
P80365Corticosteroid 11-beta-dehydrogenase isozyme 2 (EC 1.1.1.-) (11-beta-hydroxysteroid dehydrogenase type 2) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B23291;Homo sapiens (Human)3.327653
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)3.033174
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)2.643145
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)2.627336
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyF32152;Homo sapiens (Human)2.533937
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)2.304618
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)2.275659
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)2.2160310
P24723Protein kinase C eta type (EC 2.7.11.13) (PKC-L) (nPKC-eta)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCH5583;Homo sapiens (Human)2.1736511
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)2.1703812
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)2.0014613
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)1.9752114
Q00613Heat shock factor protein 1 (HSF 1) (Heat shock transcription ...HSF familyHSF13297;Homo sapiens (Human)1.9633615
Q96T53Ghrelin O-acyltransferase (EC 2.3.1.-) (Membrane-bound O-acyltransferase domain-containing protein 4) (O-acyltransferase ...Membrane-bound acyltransferase familyMBOAT4619373;Homo sapiens (Human)1.9430916
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.782317
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.7415218
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)1.7324119
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyAMY2A279;Homo sapiens (Human)1.5972320
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.4956121
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)1.4374522
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familySERPINA6866;Homo sapiens (Human)1.382723
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)1.3238124
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)1.3221325
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)1.2585526
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)1.2335227
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)1.1741928
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.1331729
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)1.1288530
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyP2RY149934;Homo sapiens (Human)1.1259831
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.0926732
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyFOLH12346;Homo sapiens (Human)1.0881433
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyPTGDR211251;Homo sapiens (Human)1.0807834
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)1.0716835
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.0608536
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)1.0482837
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)1.0353538
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.0186739
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyALOX5AP241;Homo sapiens (Human)1.0073140
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)1.0016341
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)0.9866742
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)0.97986943
P04062Lysosomal acid glucosylceramidase (Lysosomal acid GCase) (EC 3.2.1.45) (Acid beta-glucosidase) ...Glycosyl hydrolase 30 familyGBA2629;Homo sapiens (Human)0.96669544
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)0.95484645
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.94263446
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.94256147
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familySLCO1B110599;Homo sapiens (Human)0.92362448
Q9NPD5Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familySLCO1B328234;Homo sapiens (Human)0.91407749
Q9H7Z7Prostaglandin E synthase 2 (Membrane-associated prostaglandin E synthase-2) (mPGE synthase-2) ...GST superfamilyPTGES280142;Homo sapiens (Human)0.90616450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
163732025-08-04
16:12:59		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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