Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | Q8TDV5 | Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119) | G-protein coupled receptor 1 family | GPR119 | 139760; | Homo sapiens (Human) | 4.11508 | 1 |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 2.87623 | 2 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 2.85802 | 3 | |
P37231 | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARG | 5468; | Homo sapiens (Human) | 2.84309 | 4 | |
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) | 2.80227 | 5 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 2.63864 | 6 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 2.18723 | 7 | |
P50406 | 5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6) | G-protein coupled receptor 1 family | HTR6 | 3362; | Homo sapiens (Human) | 2.0659 | 8 | |
Q9Y5Y4 | Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ... | G-protein coupled receptor 1 family | PTGDR2 | 11251; | Homo sapiens (Human) | 1.95316 | 9 | |
P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 1.92886 | 10 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.88915 | 11 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 1.88751 | 12 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 1.87311 | 13 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 1.86325 | 14 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 1.84268 | 15 | |
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) | 1.7693 | 16 | |
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) | 1.76292 | 17 | |
Q99895 | Chymotrypsin-C (EC 3.4.21.2) (Caldecrin) | Peptidase S1 family, Elastase subfamily | CTRC | 11330; | Homo sapiens (Human) | 1.75422 | 18 | |
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) | 1.74255 | 19 | |
P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 1.74058 | 20 | |
P11712 | Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ... | Cytochrome P450 family | CYP2C9 | 1559; | Homo sapiens (Human) | 1.737 | 21 | |
P10145 | Interleukin-8 (IL-8) (C-X-C motif chemokine 8) (Chemokine (C-X-C motif) ligand ... | Intercrine alpha (chemokine CxC) family | CXCL8 | 3576; | Homo sapiens (Human) | 1.71979 | 22 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 1.68301 | 23 | |
P35354 | Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ... | Prostaglandin G/H synthase family | PTGS2 | 5743; | Homo sapiens (Human) | 1.62343 | 24 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 1.61282 | 25 | |
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) | 1.60234 | 26 | |
P21917 | D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor) | G-protein coupled receptor 1 family | DRD4 | 1815; | Homo sapiens (Human) | 1.48908 | 27 | |
P48449 | Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC) | Terpene cyclase/mutase family | LSS | 4047; | Homo sapiens (Human) | 1.43907 | 28 | |
P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | CNR1 | 1268; | Homo sapiens (Human) | 1.39939 | 29 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 1.37181 | 30 | |
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) | 1.36776 | 31 | |
P21397 | Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ... | Flavin monoamine oxidase family | MAOA | 4128; | Homo sapiens (Human) | 1.34216 | 32 | |
P23219 | Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ... | Prostaglandin G/H synthase family | PTGS1 | 5742; | Homo sapiens (Human) | 1.30641 | 33 | |
P24557 | Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1) | Cytochrome P450 family | TBXAS1 | 6916; | Homo sapiens (Human) | 1.29741 | 34 | |
P14867 | Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1) | Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ... | GABRA1 | 2554; | Homo sapiens (Human) | 1.29378 | 35 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.28456 | 36 | |
P21964 | Catechol O-methyltransferase (EC 2.1.1.6) | Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase family | COMT | 1312; | Homo sapiens (Human) | 1.28303 | 37 | |
Q99705 | Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ... | G-protein coupled receptor 1 family | MCHR1 | 2847; | Homo sapiens (Human) | 1.27903 | 38 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.27633 | 39 | |
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) | 1.27431 | 40 | |
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) | 1.26744 | 41 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 1.2568 | 42 | |
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) | 1.22821 | 43 | |
P36544 | Neuronal acetylcholine receptor subunit alpha-7 | Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ... | CHRNA7 | 1139;89832; | Homo sapiens (Human) | 1.21777 | 44 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 1.1657 | 45 | |
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) | 1.16343 | 46 | |
P25105 | Platelet-activating factor receptor (PAF-R) (PAFr) | G-protein coupled receptor 1 family | PTAFR | 5724; | Homo sapiens (Human) | 1.16209 | 47 | |
P49862 | Kallikrein-7 (hK7) (EC 3.4.21.117) (Serine protease 6) (Stratum corneum chymotryptic ... | Peptidase S1 family, Kallikrein subfamily | KLK7 | 5650; | Homo sapiens (Human) | 1.15403 | 48 | |
P07711 | Cathepsin L1 (EC 3.4.22.15) (Cathepsin L) (Major excreted protein) (MEP) ... | Peptidase C1 family | CTSL | 1514; | Homo sapiens (Human) | 1.14114 | 49 | |
P48067 | Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamily | SLC6A9 | 6536; | Homo sapiens (Human) | 1.13937 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
9810 | 2024-03-27 10:04:47 | 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 |