Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 3.44012 | 1 |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 3.25772 | 2 | |
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) | 3.15195 | 3 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 3.06126 | 4 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 2.64393 | 5 | |
P43166 | Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA7 | 766; | Homo sapiens (Human) | 2.64064 | 6 | |
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) | 2.56967 | 7 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 2.38223 | 8 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 2.36734 | 9 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 2.25629 | 10 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 2.15495 | 11 | |
P10828 | Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ... | Nuclear hormone receptor family, NR1 subfamily | THRB | 7068; | Homo sapiens (Human) | 2.1126 | 12 | |
P03956 | Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ... | Peptidase M10A family | MMP1 | 4312; | Homo sapiens (Human) | 2.06562 | 13 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 2.01397 | 14 | |
P07550 | Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor) | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamily | ADRB2 | 154; | Homo sapiens (Human) | 1.94793 | 15 | |
P09960 | Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase) | Peptidase M1 family | LTA4H | 4048; | Homo sapiens (Human) | 1.86462 | 16 | |
P00797 | Renin (EC 3.4.23.15) (Angiotensinogenase) | Peptidase A1 family | REN | 5972; | Homo sapiens (Human) | 1.83543 | 17 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 1.82252 | 18 | |
P27487 | Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ... | Peptidase S9B family, DPPIV subfamily | DPP4 | 1803; | Homo sapiens (Human) | 1.79965 | 19 | |
Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 1.75754 | 20 | |
P07099 | Epoxide hydrolase 1 (EC 3.3.2.9) (Epoxide hydratase) (Microsomal epoxide hydrolase) ... | Peptidase S33 family | EPHX1 | 2052; | Homo sapiens (Human) | 1.70464 | 21 | |
P28074 | Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ... | Peptidase T1B family | PSMB5 | 5693; | Homo sapiens (Human) | 1.68837 | 22 | |
P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 1.61221 | 23 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 1.61175 | 24 | |
P43235 | Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X) | Peptidase C1 family | CTSK | 1513; | Homo sapiens (Human) | 1.59814 | 25 | |
P52732 | Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ... | TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamily | KIF11 | 3832; | Homo sapiens (Human) | 1.59087 | 26 | |
P50406 | 5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6) | G-protein coupled receptor 1 family | HTR6 | 3362; | Homo sapiens (Human) | 1.5733 | 27 | |
P08253 | 72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ... | Peptidase M10A family | MMP2 | 4313; | Homo sapiens (Human) | 1.56636 | 28 | |
P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 1.56043 | 29 | |
P31391 | Somatostatin receptor type 4 (SS-4-R) (SS4-R) (SS4R) | G-protein coupled receptor 1 family | SSTR4 | 6754; | Homo sapiens (Human) | 1.55439 | 30 | |
Q9ULX7 | Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA14 | 23632; | Homo sapiens (Human) | 1.53454 | 31 | |
Q92769 | Histone deacetylase 2 (HD2) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC2 | 3066; | Homo sapiens (Human) | 1.52225 | 32 | |
P25774 | Cathepsin S (EC 3.4.22.27) | Peptidase C1 family | CTSS | 1520; | Homo sapiens (Human) | 1.45113 | 33 | |
P00734 | Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ... | Peptidase S1 family | F2 | 2147; | Homo sapiens (Human) | 1.44933 | 34 | |
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) | 1.41472 | 35 | |
Q9GZQ6 | Neuropeptide FF receptor 1 (G-protein coupled receptor 147) (RFamide-related peptide ... | G-protein coupled receptor 1 family | NPFFR1 | 64106; | Homo sapiens (Human) | 1.39847 | 36 | |
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) | 1.38428 | 37 | |
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) | 1.37048 | 38 | |
P14061 | Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ... | Short-chain dehydrogenases/reductases (SDR) family | HSD17B1 | 3292; | Homo sapiens (Human) | 1.36443 | 39 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.3581 | 40 | |
Q9Y2D0 | Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ... | Alpha-carbonic anhydrase family | CA5B | 11238; | Homo sapiens (Human) | 1.35676 | 41 | |
P35218 | Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ... | Alpha-carbonic anhydrase family | CA5A | 763; | Homo sapiens (Human) | 1.34374 | 42 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.32541 | 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) | 1.31528 | 44 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 1.30529 | 45 | |
P28223 | 5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A) | G-protein coupled receptor 1 family | HTR2A | 3356; | Homo sapiens (Human) | 1.27895 | 46 | |
Q9H4A4 | Aminopeptidase B (AP-B) (EC 3.4.11.6) (Arginine aminopeptidase) (Arginyl aminopeptidase) | Peptidase M1 family | RNPEP | 6051; | Homo sapiens (Human) | 1.25845 | 47 | |
P06756 | Integrin alpha-V (Vitronectin receptor) (Vitronectin receptor subunit alpha) (CD antigen ... | Integrin alpha chain family | ITGAV | 3685; | Homo sapiens (Human) | 1.25804 | 48 | |
P10827 | Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ... | Nuclear hormone receptor family, NR1 subfamily | THRA | 7067; | Homo sapiens (Human) | 1.23212 | 49 | |
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) | 1.22293 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
5091 | 2022-12-08 15:56:17 | 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 |