Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | 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) | 0.000815997 | 1 |
Q9Y478 | 5'-AMP-activated protein kinase subunit beta-1 (AMPK subunit beta-1) (AMPKb) | 5'-AMP-activated protein kinase beta subunit family | PRKAB1 | 5564; | Homo sapiens (Human) | 0.000761824 | 2 | |
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) | 0.000739001 | 3 | |
P0DPD6 | Endothelin-converting enzyme 2 (ECE-2) (EC 3.4.24.71) | Peptidase M13 family | ECE2 | 110599583;9718; | Homo sapiens (Human) | 0.000704493 | 4 | |
Q9Y5Y4 | Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ... | G-protein coupled receptor 1 family | PTGDR2 | 11251; | Homo sapiens (Human) | 0.000690654 | 5 | |
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) | 0.00066616 | 6 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 0.000637026 | 7 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.000568447 | 8 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000515119 | 9 | |
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) | 0.000469557 | 10 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 0.0004648 | 11 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 0.000463198 | 12 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 0.000453956 | 13 | |
P00742 | Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ... | Peptidase S1 family | F10 | 2159; | Homo sapiens (Human) | 0.000439369 | 14 | |
P00749 | Urokinase-type plasminogen activator (U-plasminogen activator) (uPA) (EC 3.4.21.73) [Cleaved into: ... | Peptidase S1 family | PLAU | 5328; | Homo sapiens (Human) | 0.000438647 | 15 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 0.00043425 | 16 | |
P15121 | Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ... | Aldo/keto reductase family | AKR1B1 | 231; | Homo sapiens (Human) | 0.000427291 | 17 | |
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) | 0.000417388 | 18 | |
Q07869 | Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARA | 5465; | Homo sapiens (Human) | 0.000414998 | 19 | |
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) | 0.00040587 | 20 | |
P37231 | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ... | Nuclear hormone receptor family, NR1 subfamily | PPARG | 5468; | Homo sapiens (Human) | 0.000405621 | 21 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 0.000386698 | 22 | |
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) | 0.000384464 | 23 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 0.000384006 | 24 | |
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) | 0.000375836 | 25 | |
P10828 | Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ... | Nuclear hormone receptor family, NR1 subfamily | THRB | 7068; | Homo sapiens (Human) | 0.000372046 | 26 | |
P15090 | Fatty acid-binding protein, adipocyte (Adipocyte lipid-binding protein) (ALBP) (Adipocyte-type fatty ... | Calycin superfamily, Fatty-acid binding protein (FABP) family | FABP4 | 2167; | Homo sapiens (Human) | 0.000364686 | 27 | |
O95749 | Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ... | FPP/GGPP synthase family | GGPS1 | 9453; | Homo sapiens (Human) | 0.000354823 | 28 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 0.000354337 | 29 | |
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) | 0.000353817 | 30 | |
Q03181 | Peroxisome proliferator-activated receptor delta (PPAR-delta) (NUCI) (Nuclear hormone receptor 1) ... | Nuclear hormone receptor family, NR1 subfamily | PPARD | 5467; | Homo sapiens (Human) | 0.000353317 | 31 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 0.000351104 | 32 | |
P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA1 | 759; | Homo sapiens (Human) | 0.000350395 | 33 | |
P18031 | Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ... | Protein-tyrosine phosphatase family, Non-receptor class 1 subfamily | PTPN1 | 5770; | Homo sapiens (Human) | 0.000343938 | 34 | |
O15554 | Intermediate conductance calcium-activated potassium channel protein 4 (SK4) (SKCa 4) ... | Potassium channel KCNN family, KCa3.1/KCNN4 subfamily | KCNN4 | 3783; | Homo sapiens (Human) | 0.000338743 | 35 | |
Q13258 | Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor) | G-protein coupled receptor 1 family | PTGDR | 5729; | Homo sapiens (Human) | 0.000331847 | 36 | |
P21731 | Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor) | G-protein coupled receptor 1 family | TBXA2R | 6915; | Homo sapiens (Human) | 0.000331466 | 37 | |
P10827 | Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ... | Nuclear hormone receptor family, NR1 subfamily | THRA | 7067; | Homo sapiens (Human) | 0.00033042 | 38 | |
P07202 | Thyroid peroxidase (TPO) (EC 1.11.1.8) | Peroxidase family, XPO subfamily | TPO | 7173; | Homo sapiens (Human) | 0.000329823 | 39 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 0.00032781 | 40 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 0.000322673 | 41 | |
P06401 | Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | PGR | 5241; | Homo sapiens (Human) | 0.000319392 | 42 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 0.000311034 | 43 | |
P00734 | Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ... | Peptidase S1 family | F2 | 2147; | Homo sapiens (Human) | 0.000306154 | 44 | |
Q92633 | Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR1 | 1902; | Homo sapiens (Human) | 0.000303019 | 45 | |
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) | 0.000302186 | 46 | |
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) | 0.000296429 | 47 | |
P09917 | Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34) | Lipoxygenase family | ALOX5 | 240; | Homo sapiens (Human) | 0.000293476 | 48 | |
Q8TDS4 | Hydroxycarboxylic acid receptor 2 (G-protein coupled receptor 109A) (G-protein coupled ... | G-protein coupled receptor 1 family | HCAR2 | 338442; | Homo sapiens (Human) | 0.000287738 | 49 | |
P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 0.000287341 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
1824 | 2021-09-22 20:16:17 | 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 50 |