Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 3.83308 | 1 |
P00734 | Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ... | Peptidase S1 family | F2 | 2147; | Homo sapiens (Human) | 3.69547 | 2 | |
P48147 | Prolyl endopeptidase (PE) (EC 3.4.21.26) (Post-proline cleaving enzyme) | Peptidase S9A family | PREP | 5550; | Homo sapiens (Human) | 2.87649 | 3 | |
Q8TDV5 | Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119) | G-protein coupled receptor 1 family | GPR119 | 139760; | Homo sapiens (Human) | 2.75748 | 4 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 2.56045 | 5 | |
P30559 | Oxytocin receptor (OT-R) | G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily | OXTR | 5021; | Homo sapiens (Human) | 2.55575 | 6 | |
P35372 | Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ... | G-protein coupled receptor 1 family | OPRM1 | 4988; | Homo sapiens (Human) | 2.54375 | 7 | |
P28845 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ... | Short-chain dehydrogenases/reductases (SDR) family | HSD11B1 | 3290; | Homo sapiens (Human) | 2.41799 | 8 | |
P43235 | Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X) | Peptidase C1 family | CTSK | 1513; | Homo sapiens (Human) | 2.39982 | 9 | |
P27487 | Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ... | Peptidase S9B family, DPPIV subfamily | DPP4 | 1803; | Homo sapiens (Human) | 2.39321 | 10 | |
Q92769 | Histone deacetylase 2 (HD2) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC2 | 3066; | Homo sapiens (Human) | 2.35035 | 11 | |
P00742 | Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ... | Peptidase S1 family | F10 | 2159; | Homo sapiens (Human) | 2.29238 | 12 | |
P61073 | C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ... | G-protein coupled receptor 1 family | CXCR4 | 7852; | Homo sapiens (Human) | 2.28306 | 13 | |
Q9UGN5 | Poly [ADP-ribose] polymerase 2 (PARP-2) (hPARP-2) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria ... | PARP2 | 10038; | Homo sapiens (Human) | 2.27998 | 14 | ||
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 2.26758 | 15 | |
P25774 | Cathepsin S (EC 3.4.22.27) | Peptidase C1 family | CTSS | 1520; | Homo sapiens (Human) | 2.2629 | 16 | |
P35348 | Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ... | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamily | ADRA1A | 148; | Homo sapiens (Human) | 2.25408 | 17 | |
P56524 | Histone deacetylase 4 (HD4) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC4 | 9759; | Homo sapiens (Human) | 2.24652 | 18 | |
P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 2.22546 | 19 | |
P11229 | Muscarinic acetylcholine receptor M1 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ... | CHRM1 | 1128; | Homo sapiens (Human) | 2.15464 | 20 | |
P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | EPHX2 | 2053; | Homo sapiens (Human) | 2.14375 | 21 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 2.11418 | 22 | |
P29466 | Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ... | Peptidase C14A family | CASP1 | 834; | Homo sapiens (Human) | 2.05099 | 23 | |
P21917 | D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor) | G-protein coupled receptor 1 family | DRD4 | 1815; | Homo sapiens (Human) | 1.92352 | 24 | |
P30556 | Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) ... | G-protein coupled receptor 1 family | AGTR1 | 185; | Homo sapiens (Human) | 1.89329 | 25 | |
Q9HBH1 | Peptide deformylase, mitochondrial (EC 3.5.1.88) (Polypeptide deformylase) | Polypeptide deformylase family | 64146; | Homo sapiens (Human) | 1.7709 | 26 | ||
P25100 | Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ... | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamily | ADRA1D | 146; | Homo sapiens (Human) | 1.76452 | 27 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 1.76254 | 28 | |
P08246 | Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ... | Peptidase S1 family, Elastase subfamily | ELANE | 1991; | Homo sapiens (Human) | 1.76063 | 29 | |
Q7Z2W7 | Transient receptor potential cation channel subfamily M member 8 (Long ... | Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM8 sub-subfamily | TRPM8 | 79054; | Homo sapiens (Human) | 1.75119 | 30 | |
P06756 | Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen ... | Integrin alpha chain family | ITGAV | 3685; | Homo sapiens (Human) | 1.73879 | 31 | |
P31213 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ... | Steroid 5-alpha reductase family | SRD5A2 | 6716; | Homo sapiens (Human) | 1.73867 | 32 | |
P00797 | Renin (EC 3.4.23.15) (Angiotensinogenase) | Peptidase A1 family | REN | 5972; | Homo sapiens (Human) | 1.72839 | 33 | |
Q07075 | Glutamyl aminopeptidase (EAP) (EC 3.4.11.7) (Aminopeptidase A) (AP-A) (Differentiation antigen ... | Peptidase M1 family | ENPEP | 2028; | Homo sapiens (Human) | 1.72638 | 34 | |
O15379 | Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45) | Histone deacetylase family, HD type 1 subfamily | HDAC3 | 8841; | Homo sapiens (Human) | 1.72341 | 35 | |
Q13490 | Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of ... | IAP family | BIRC2 | 329; | Homo sapiens (Human) | 1.69456 | 36 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 1.62595 | 37 | |
P08908 | 5-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-subfamily | HTR1A | 3350; | Homo sapiens (Human) | 1.60286 | 38 | |
P04637 | Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ... | P53 family | TP53 | 7157; | Homo sapiens (Human) | 1.59975 | 39 | |
P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 1.59936 | 40 | |
P35368 | Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor) | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamily | ADRA1B | 147; | Homo sapiens (Human) | 1.58378 | 41 | |
Q92847 | Growth hormone secretagogue receptor type 1 (GHS-R) (GH-releasing peptide receptor) ... | G-protein coupled receptor 1 family | GHSR | 2693; | Homo sapiens (Human) | 1.58016 | 42 | |
P35408 | Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ... | G-protein coupled receptor 1 family | PTGER4 | 5734; | Homo sapiens (Human) | 1.57363 | 43 | |
P28074 | Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ... | Peptidase T1B family | PSMB5 | 5693; | Homo sapiens (Human) | 1.55422 | 44 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.55211 | 45 | |
P18405 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 (EC 1.3.1.22) (SR type 1) (Steroid 5-alpha-reductase ... | Steroid 5-alpha reductase family | SRD5A1 | 6715; | Homo sapiens (Human) | 1.55202 | 46 | |
P11387 | DNA topoisomerase 1 (EC 5.6.2.2) (DNA topoisomerase I) | Type IB topoisomerase family | TOP1 | 7150; | Homo sapiens (Human) | 1.54941 | 47 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.53724 | 48 | |
P46098 | 5-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) ... | HTR3A | 3359; | Homo sapiens (Human) | 1.52064 | 49 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 1.49831 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
10245 | 2024-04-24 21:26:13 | Target proteins | Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Morgan fingerprint, similar to FCFP_4 Download | α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50 | Download |