Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P50052 | Type-2 angiotensin II receptor (Angiotensin II type-2 receptor) (AT2) | G-protein coupled receptor 1 family | AGTR2 | 186; | Homo sapiens (Human) | 3.88915 | 1 |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 2.71025 | 2 | |
Q07912 | Activated CDC42 kinase 1 (ACK-1) (EC 2.7.10.2) (EC 2.7.11.1) (Tyrosine ... | Protein kinase superfamily, Tyr protein kinase family | TNK2 | 10188; | Homo sapiens (Human) | 2.55477 | 3 | |
P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 2.44583 | 4 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 2.31761 | 5 | |
P06239 | Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ... | Protein kinase superfamily, Tyr protein kinase family, SRC subfamily | LCK | 3932; | Homo sapiens (Human) | 2.24889 | 6 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 2.2212 | 7 | |
Q92847 | Growth hormone secretagogue receptor type 1 (GHS-R) (GH-releasing peptide receptor) ... | G-protein coupled receptor 1 family | GHSR | 2693; | Homo sapiens (Human) | 2.18241 | 8 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 2.0955 | 9 | |
P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 2.07177 | 10 | |
P30556 | Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) ... | G-protein coupled receptor 1 family | AGTR1 | 185; | Homo sapiens (Human) | 2.07146 | 11 | |
Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 2.03367 | 12 | |
P21728 | D(1A) dopamine receptor (Dopamine D1 receptor) | G-protein coupled receptor 1 family | DRD1 | 1812; | Homo sapiens (Human) | 1.97327 | 13 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.86811 | 14 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 1.83956 | 15 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.76063 | 16 | |
Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase) | Dihydroorotate dehydrogenase family, Type 2 subfamily | DHODH | 1723; | Homo sapiens (Human) | 1.73505 | 17 | |
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) | 1.66583 | 18 | |
P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | CNR1 | 1268; | Homo sapiens (Human) | 1.56356 | 19 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 1.50956 | 20 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.49998 | 21 | |
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) | 1.48581 | 22 | |
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) | 1.41263 | 23 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.3926 | 24 | |
P04035 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34) | HMG-CoA reductase family | HMGCR | 3156; | Homo sapiens (Human) | 1.3864 | 25 | |
P39900 | Macrophage metalloelastase (MME) (EC 3.4.24.65) (Macrophage elastase) (ME) (hME) (Matrix ... | Peptidase M10A family | MMP12 | 4321; | Homo sapiens (Human) | 1.37534 | 26 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 1.36176 | 27 | |
Q92769 | Histone deacetylase 2 (HD2) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC2 | 3066; | Homo sapiens (Human) | 1.355 | 28 | |
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) | 1.21132 | 29 | |
Q9Y5Y9 | Sodium channel protein type 10 subunit alpha (Peripheral nerve sodium ... | Sodium channel (TC 1.A.1.10) family, Nav1.8/SCN10A subfamily | SCN10A | 6336; | Homo sapiens (Human) | 1.20465 | 30 | |
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) | 1.19553 | 31 | |
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) | 1.15256 | 32 | |
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) | 1.14972 | 33 | |
Q9UBN7 | Histone deacetylase 6 (HD6) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC6 | 10013; | Homo sapiens (Human) | 1.13673 | 34 | |
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) | 1.12658 | 35 | |
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) | 1.11252 | 36 | |
P45452 | Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13) | Peptidase M10A family | MMP13 | 4322; | Homo sapiens (Human) | 1.0602 | 37 | |
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) | 1.02738 | 38 | |
P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 1.00802 | 39 | |
P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 0.997062 | 40 | |
O95749 | Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ... | FPP/GGPP synthase family | GGPS1 | 9453; | Homo sapiens (Human) | 0.990684 | 41 | |
P29275 | Adenosine receptor A2b | G-protein coupled receptor 1 family | ADORA2B | 136; | Homo sapiens (Human) | 0.967795 | 42 | |
O43614 | Orexin receptor type 2 (Ox-2-R) (Ox2-R) (Ox2R) (Hypocretin receptor type ... | G-protein coupled receptor 1 family | HCRTR2 | 3062; | Homo sapiens (Human) | 0.959781 | 43 | |
P21917 | D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor) | G-protein coupled receptor 1 family | DRD4 | 1815; | Homo sapiens (Human) | 0.956502 | 44 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.951458 | 45 | |
P12268 | Inosine-5'-monophosphate dehydrogenase 2 (IMP dehydrogenase 2) (IMPD 2) (IMPDH 2) ... | IMPDH/GMPR family | IMPDH2 | 3615; | Homo sapiens (Human) | 0.942109 | 46 | |
P00748 | Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ... | Peptidase S1 family | F12 | 2161; | Homo sapiens (Human) | 0.931515 | 47 | |
P25103 | Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1) | G-protein coupled receptor 1 family | TACR1 | 6869; | Homo sapiens (Human) | 0.923011 | 48 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.911896 | 49 | |
P27815 | cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46) | Cyclic nucleotide phosphodiesterase family, PDE4 subfamily | PDE4A | 5141; | Homo sapiens (Human) | 0.903906 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
5086 | 2022-12-07 18:10:48 | 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 |