Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 3.20344 | 1 |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 2.02168 | 2 | |
O00748 | Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ... | Type-B carboxylesterase/lipase family | CES2 | 8824; | Homo sapiens (Human) | 1.99382 | 3 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.97191 | 4 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.955 | 5 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.94476 | 6 | |
P00748 | Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ... | Peptidase S1 family | F12 | 2161; | Homo sapiens (Human) | 1.91356 | 7 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 1.86722 | 8 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.79614 | 9 | |
P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA1 | 759; | Homo sapiens (Human) | 1.7959 | 10 | |
P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | EPHX2 | 2053; | Homo sapiens (Human) | 1.79169 | 11 | |
P23975 | Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily | SLC6A2 | 6530; | Homo sapiens (Human) | 1.66714 | 12 | |
P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 1.55675 | 13 | |
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) | 1.54736 | 14 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.53998 | 15 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.51891 | 16 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.46709 | 17 | |
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) | 1.42429 | 18 | |
Q8NER1 | Transient receptor potential cation channel subfamily V member 1 (TrpV1) ... | Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily | TRPV1 | 7442; | Homo sapiens (Human) | 1.41543 | 19 | |
P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 1.41539 | 20 | |
P29475 | Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ... | NOS family | NOS1 | 4842; | Homo sapiens (Human) | 1.30275 | 21 | |
P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 1.29598 | 22 | |
Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 1.23594 | 23 | |
Q01959 | Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily | SLC6A3 | 6531; | Homo sapiens (Human) | 1.18623 | 24 | |
P21728 | D(1A) dopamine receptor (Dopamine D1 receptor) | G-protein coupled receptor 1 family | DRD1 | 1812; | Homo sapiens (Human) | 1.17331 | 25 | |
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) | 1.17306 | 26 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 1.1536 | 27 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 1.14189 | 28 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 1.12284 | 29 | |
P14324 | Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ... | FPP/GGPP synthase family | FDPS | 2224; | Homo sapiens (Human) | 1.1216 | 30 | |
Q96RJ0 | Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1) | G-protein coupled receptor 1 family | TAAR1 | 134864; | Homo sapiens (Human) | 1.1191 | 31 | |
Q9H3N8 | Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) ... | G-protein coupled receptor 1 family | HRH4 | 59340; | Homo sapiens (Human) | 1.11618 | 32 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 1.10772 | 33 | |
P34969 | 5-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7) | G-protein coupled receptor 1 family | HTR7 | 3363; | Homo sapiens (Human) | 1.09894 | 34 | |
P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 1.08758 | 35 | |
P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 1.07889 | 36 | ||
P21917 | D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor) | G-protein coupled receptor 1 family | DRD4 | 1815; | Homo sapiens (Human) | 1.06387 | 37 | |
P45452 | Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13) | Peptidase M10A family | MMP13 | 4322; | Homo sapiens (Human) | 1.05599 | 38 | |
Q15722 | Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ... | G-protein coupled receptor 1 family | LTB4R | 1241; | Homo sapiens (Human) | 1.05114 | 39 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 1.04649 | 40 | |
P05093 | Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ... | Cytochrome P450 family | CYP17A1 | 1586; | Homo sapiens (Human) | 1.01713 | 41 | |
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) | 1.01606 | 42 | |
P35462 | D(3) dopamine receptor (Dopamine D3 receptor) | G-protein coupled receptor 1 family | DRD3 | 1814; | Homo sapiens (Human) | 0.985563 | 43 | |
P28335 | 5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ... | G-protein coupled receptor 1 family | HTR2C | 3358; | Homo sapiens (Human) | 0.977486 | 44 | |
P41146 | Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor) | G-protein coupled receptor 1 family | OPRL1 | 4987; | Homo sapiens (Human) | 0.970551 | 45 | |
Q9UBY5 | Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR3 | 23566; | Homo sapiens (Human) | 0.942736 | 46 | |
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) | 0.933662 | 47 | |
Q16539 | Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ... | MAPK14 | 1432; | Homo sapiens (Human) | 0.922153 | 48 | |
P00374 | Dihydrofolate reductase (EC 1.5.1.3) | Dihydrofolate reductase family | DHFR | 1719; | Homo sapiens (Human) | 0.920002 | 49 | |
P08172 | Muscarinic acetylcholine receptor M2 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ... | CHRM2 | 1129; | Homo sapiens (Human) | 0.917233 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
10263 | 2024-04-25 15:55:22 | 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 |