Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | Q92830 | Histone acetyltransferase KAT2A (EC 2.3.1.48) (General control of amino acid ... | Acetyltransferase family, GCN5 subfamily | KAT2A | 2648; | Homo sapiens (Human) | 0.00187147 | 1 |
P11509 | Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ... | Cytochrome P450 family | CYP2A6 | 1548; | Homo sapiens (Human) | 0.00168808 | 2 | |
P19634 | Sodium/hydrogen exchanger 1 (APNH) (Na(+)/H(+) antiporter, amiloride-sensitive) (Na(+)/H(+) exchanger 1) ... | Monovalent cation:proton antiporter 1 (CPA1) transporter (TC 2.A.36) family | SLC9A1 | 6548; | Homo sapiens (Human) | 0.00148005 | 3 | |
P36888 | Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) (FL cytokine receptor) (Fetal ... | Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily | FLT3 | 2322; | Homo sapiens (Human) | 0.0014197 | 4 | |
P05181 | Cytochrome P450 2E1 (EC 1.14.13.-) (4-nitrophenol 2-hydroxylase) (EC 1.14.13.n7) (CYPIIE1) ... | Cytochrome P450 family | CYP2E1 | 1571; | Homo sapiens (Human) | 0.0012054 | 5 | |
P60568 | Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin) | IL-2 family | IL2 | 3558; | Homo sapiens (Human) | 0.00119459 | 6 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 0.000723139 | 7 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 0.00056712 | 8 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 0.000557869 | 9 | |
P20813 | Cytochrome P450 2B6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIB6) (Cytochrome P450 ... | Cytochrome P450 family | CYP2B6 | 1555; | Homo sapiens (Human) | 0.000557324 | 10 | |
[2] UntitledOriginal SMILES: Prepared SMILES: | P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 0.000770609 | 1 | |
P21397 | Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ... | Flavin monoamine oxidase family | MAOA | 4128; | Homo sapiens (Human) | 0.00069453 | 2 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.000685763 | 3 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000600738 | 4 | |
P04150 | Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | NR3C1 | 2908; | Homo sapiens (Human) | 0.000533685 | 5 | |
P06401 | Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | PGR | 5241; | Homo sapiens (Human) | 0.000479332 | 6 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 0.000472399 | 7 | |
P08185 | Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin) | Serpin family | SERPINA6 | 866; | Homo sapiens (Human) | 0.000464376 | 8 | |
Q9Y4D2 | Sn1-specific diacylglycerol lipase alpha (DGL-alpha) (EC 3.1.1.-) (Neural stem cell-derived ... | AB hydrolase superfamily, Lipase family | DAGLA | 747; | Homo sapiens (Human) | 0.000460165 | 9 | |
O75762 | Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ... | Transient receptor (TC 1.A.4) family | TRPA1 | 8989; | Homo sapiens (Human) | 0.000459278 | 10 | |
[3] UntitledOriginal SMILES: Prepared SMILES: | 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) | 0.000594098 | 1 |
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) | 0.000574951 | 2 | |
Q04609 | Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ... | Peptidase M28 family, M28B subfamily | FOLH1 | 2346; | Homo sapiens (Human) | 0.000560415 | 3 | |
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) | 0.000405299 | 4 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 0.000393479 | 5 | |
P00374 | Dihydrofolate reductase (EC 1.5.1.3) | Dihydrofolate reductase family | DHFR | 1719; | Homo sapiens (Human) | 0.000350768 | 6 | |
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) | 0.000350401 | 7 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 0.000325766 | 8 | |
Q13002 | Glutamate receptor ionotropic, kainate 2 (GluK2) (Excitatory amino acid receptor ... | Glutamate-gated ion channel (TC 1.A.10.1) family, GRIK2 subfamily | GRIK2 | 2898; | Homo sapiens (Human) | 0.000315932 | 9 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 0.000315858 | 10 | |
[4] UntitledOriginal SMILES: Prepared SMILES: | Q9NQS5 | G-protein coupled receptor 84 (Inflammation-related G-protein coupled receptor EX33) | G-protein coupled receptor 1 family | GPR84 | 53831; | Homo sapiens (Human) | 0.114013 | Known |
O14842 | Free fatty acid receptor 1 (G-protein coupled receptor 40) | G-protein coupled receptor 1 family | FFAR1 | 2864; | Homo sapiens (Human) | 0.0590315 | Known | |
Q5NUL3 | Free fatty acid receptor 4 (G-protein coupled receptor 120) (G-protein ... | G-protein coupled receptor 1 family | FFAR4 | 338557; | Homo sapiens (Human) | 0.0269853 | 1 | |
Q2M385 | Macrophage-expressed gene 1 protein (Macrophage gene 1 protein) (Mpg-1) | MPEG1 | 219972; | Homo sapiens (Human) | 0.00640896 | 2 | ||
Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ... | Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily | EHMT2 | 10919; | Homo sapiens (Human) | 0.00604557 | 3 | |
P39877 | Calcium-dependent phospholipase A2 (EC 3.1.1.4) (Group V phospholipase A2) (PLA2-10) ... | Phospholipase A2 family | PLA2G5 | 5322; | Homo sapiens (Human) | 0.00532862 | 4 | |
Q07869 | Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARA | 5465; | Homo sapiens (Human) | 0.00379435 | 5 | |
P55212 | Caspase-6 (CASP-6) (EC 3.4.22.59) (Apoptotic protease Mch-2) [Cleaved into: Caspase-6 ... | Peptidase C14A family | CASP6 | 839; | Homo sapiens (Human) | 0.0037831 | 6 | |
P14555 | Phospholipase A2, membrane associated (EC 3.1.1.4) (GIIC sPLA2) (Group IIA ... | Phospholipase A2 family | PLA2G2A | 5320; | Homo sapiens (Human) | 0.00341948 | 7 | |
P37231 | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARG | 5468; | Homo sapiens (Human) | 0.00312771 | 8 | |
P43115 | Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ... | G-protein coupled receptor 1 family | PTGER3 | 5733; | Homo sapiens (Human) | 0.00311364 | 9 | |
P05413 | Fatty acid-binding protein, heart (Fatty acid-binding protein 3) (Heart-type fatty ... | Calycin superfamily, Fatty-acid binding protein (FABP) family | FABP3 | 2170; | Homo sapiens (Human) | 0.00289179 | 10 | |
[5] UntitledOriginal SMILES: Prepared SMILES: | P19320 | Vascular cell adhesion protein 1 (V-CAM 1) (VCAM-1) (INCAM-100) (CD ... | VCAM1 | 7412; | Homo sapiens (Human) | 0.00102754 | 1 | |
Q9BXA5 | Succinate receptor 1 (G-protein coupled receptor 91) (P2Y purinoceptor 1-like) | G-protein coupled receptor 1 family | SUCNR1 | 56670; | Homo sapiens (Human) | 0.000704691 | 2 | |
Q9GZT9 | Egl nine homolog 1 (EC 1.14.11.29) (Hypoxia-inducible factor prolyl hydroxylase ... | EGLN1 | 54583; | Homo sapiens (Human) | 0.000670585 | 3 | ||
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) | 0.00064696 | 4 | |
Q04609 | Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ... | Peptidase M28 family, M28B subfamily | FOLH1 | 2346; | Homo sapiens (Human) | 0.000618787 | 5 | |
P53396 | ATP-citrate synthase (EC 2.3.3.8) (ATP-citrate (pro-S-)-lyase) (ACL) (Citrate cleavage enzyme) | Succinate/malate CoA ligase beta subunit family; Succinate/malate CoA ligase alpha ... | ACLY | 47; | Homo sapiens (Human) | 0.000537792 | 6 | |
Q9Y5Y4 | Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ... | G-protein coupled receptor 1 family | PTGDR2 | 11251; | Homo sapiens (Human) | 0.000507864 | 7 | |
Q6ZMT4 | Lysine-specific demethylase 7A (EC 1.14.11.-) (JmjC domain-containing histone demethylation protein ... | JHDM1 histone demethylase family, JHDM1D subfamily | KDM7A | 80853; | Homo sapiens (Human) | 0.000496018 | 8 | |
Q8TDS5 | Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ... | G-protein coupled receptor 1 family | OXER1 | 165140; | Homo sapiens (Human) | 0.000470281 | 9 | |
P37231 | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARG | 5468; | Homo sapiens (Human) | 0.000409787 | 10 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
1840 | 2021-09-27 15:49:27 | Target proteins | Balanced Substructure-Drug-Target Network-Based Inference (bSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Klekota-Roth (KR) | α = 0.4, β = 0.3, γ = -0.6, k = 2, Top 10 |