Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | Q13490 | Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of ... | IAP family | BIRC2 | 329; | Homo sapiens (Human) | 3.72473 | 1 |
P00742 | Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ... | Peptidase S1 family | F10 | 2159; | Homo sapiens (Human) | 3.28904 | 2 | |
Q13489 | Baculoviral IAP repeat-containing protein 3 (EC 2.3.2.27) (Apoptosis inhibitor 2) ... | IAP family | BIRC3 | 330; | Homo sapiens (Human) | 3.28511 | 3 | |
P00734 | Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ... | Peptidase S1 family | F2 | 2147; | Homo sapiens (Human) | 3.08823 | 4 | |
P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | EPHX2 | 2053; | Homo sapiens (Human) | 2.93492 | 5 | |
P03956 | Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ... | Peptidase M10A family | MMP1 | 4312; | Homo sapiens (Human) | 2.87762 | 6 | |
P78536 | Disintegrin and metalloproteinase domain-containing protein 17 (ADAM 17) (EC 3.4.24.86) ... | ADAM17 | 6868; | Homo sapiens (Human) | 2.73159 | 7 | ||
P14780 | Matrix metalloproteinase-9 (MMP-9) (EC 3.4.24.35) (92 kDa gelatinase) (92 kDa ... | Peptidase M10A family | MMP9 | 4318; | Homo sapiens (Human) | 2.68528 | 8 | |
P43115 | Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ... | G-protein coupled receptor 1 family | PTGER3 | 5733; | Homo sapiens (Human) | 2.64508 | 9 | |
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) | 2.60286 | 10 | |
P17655 | Calpain-2 catalytic subunit (EC 3.4.22.53) (Calcium-activated neutral proteinase 2) (CANP ... | Peptidase C2 family | CAPN2 | 824; | Homo sapiens (Human) | 2.59507 | 11 | |
P35408 | Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ... | G-protein coupled receptor 1 family | PTGER4 | 5734; | Homo sapiens (Human) | 2.47326 | 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) | 2.45781 | 13 | |
P48147 | Prolyl endopeptidase (PE) (EC 3.4.21.26) (Post-proline cleaving enzyme) | Peptidase S9A family | PREP | 5550; | Homo sapiens (Human) | 2.21503 | 14 | |
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) | 2.19625 | 15 | |
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) | 2.16867 | 16 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 2.10933 | 17 | |
P08254 | Stromelysin-1 (SL-1) (EC 3.4.24.17) (Matrix metalloproteinase-3) (MMP-3) (Transin-1) | Peptidase M10A family | MMP3 | 4314; | Homo sapiens (Human) | 2.10246 | 18 | |
P98170 | E3 ubiquitin-protein ligase XIAP (EC 2.3.2.27) (Baculoviral IAP repeat-containing protein ... | IAP family | XIAP | 331; | Homo sapiens (Human) | 2.04533 | 19 | |
P07384 | Calpain-1 catalytic subunit (EC 3.4.22.52) (Calcium-activated neutral proteinase 1) (CANP ... | Peptidase C2 family | CAPN1 | 823; | Homo sapiens (Human) | 2.01107 | 20 | |
P28074 | Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ... | Peptidase T1B family | PSMB5 | 5693; | Homo sapiens (Human) | 2.00819 | 21 | |
Q96P09 | Baculoviral IAP repeat-containing protein 8 (Inhibitor of apoptosis-like protein 2) ... | IAP family | BIRC8 | 112401; | Homo sapiens (Human) | 2.00745 | 22 | |
P30559 | Oxytocin receptor (OT-R) | G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamily | OXTR | 5021; | Homo sapiens (Human) | 1.95567 | 23 | |
Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 1.94482 | 24 | |
P25774 | Cathepsin S (EC 3.4.22.27) | Peptidase C1 family | CTSS | 1520; | Homo sapiens (Human) | 1.87139 | 25 | |
P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 1.8432 | 26 | ||
Q9UNI1 | Chymotrypsin-like elastase family member 1 (EC 3.4.21.36) (Elastase-1) (Pancreatic elastase ... | Peptidase S1 family, Elastase subfamily | CELA1 | 1990; | Homo sapiens (Human) | 1.80705 | 27 | |
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) | 1.73341 | 28 | |
P08253 | 72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ... | Peptidase M10A family | MMP2 | 4313; | Homo sapiens (Human) | 1.72666 | 29 | |
P22894 | Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL) | Peptidase M10A family | MMP8 | 4317; | Homo sapiens (Human) | 1.67308 | 30 | |
P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | CNR1 | 1268; | Homo sapiens (Human) | 1.64568 | 31 | |
P35228 | Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ... | NOS family | NOS2 | 4843; | Homo sapiens (Human) | 1.60891 | 32 | |
P12821 | Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ... | Peptidase M2 family | ACE | 1636; | Homo sapiens (Human) | 1.57492 | 33 | |
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) | 1.53297 | 34 | |
Q9HBH1 | Peptide deformylase, mitochondrial (EC 3.5.1.88) (Polypeptide deformylase) | Polypeptide deformylase family | 64146; | Homo sapiens (Human) | 1.47392 | 35 | ||
P27487 | Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ... | Peptidase S9B family, DPPIV subfamily | DPP4 | 1803; | Homo sapiens (Human) | 1.43958 | 36 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.41656 | 37 | |
P43235 | Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X) | Peptidase C1 family | CTSK | 1513; | Homo sapiens (Human) | 1.4063 | 38 | |
P06756 | Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen ... | Integrin alpha chain family | ITGAV | 3685; | Homo sapiens (Human) | 1.39163 | 39 | |
P32239 | Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R) | G-protein coupled receptor 1 family | CCKBR | 887; | Homo sapiens (Human) | 1.35334 | 40 | |
Q07075 | Glutamyl aminopeptidase (EAP) (EC 3.4.11.7) (Aminopeptidase A) (AP-A) (Differentiation antigen ... | Peptidase M1 family | ENPEP | 2028; | Homo sapiens (Human) | 1.32207 | 41 | |
P43119 | Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ... | G-protein coupled receptor 1 family | PTGIR | 5739; | Homo sapiens (Human) | 1.2941 | 42 | |
P00797 | Renin (EC 3.4.23.15) (Angiotensinogenase) | Peptidase A1 family | REN | 5972; | Homo sapiens (Human) | 1.26477 | 43 | |
P09237 | Matrilysin (EC 3.4.24.23) (Matrin) (Matrix metalloproteinase-7) (MMP-7) (Pump-1 protease) (Uterine ... | Peptidase M10A family | MMP7 | 4316; | Homo sapiens (Human) | 1.24919 | 44 | |
P56524 | Histone deacetylase 4 (HD4) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC4 | 9759; | Homo sapiens (Human) | 1.24421 | 45 | |
P45452 | Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13) | Peptidase M10A family | MMP13 | 4322; | Homo sapiens (Human) | 1.22695 | 46 | |
P08473 | Neprilysin (EC 3.4.24.11) (Atriopeptidase) (Common acute lymphocytic leukemia antigen) (CALLA) ... | Peptidase M13 family | MME | 4311; | Homo sapiens (Human) | 1.20567 | 47 | |
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) | 1.19662 | 48 | |
P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 1.14074 | 49 | |
Q14790 | Caspase-8 (CASP-8) (EC 3.4.22.61) (Apoptotic cysteine protease) (Apoptotic protease Mch-5) ... | Peptidase C14A family | CASP8 | 841; | Homo sapiens (Human) | 1.11871 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
5370 | 2023-03-21 03:42:52 | Target proteins | Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Morgan fingerprint, similar to FCFP_4 | α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50 | Download |