Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P27169 | Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ... | Paraoxonase family | PON1 | 5444; | Homo sapiens (Human) | 2.9446 | 1 |
Q9NY91 | Solute carrier family 5 member 4 | Sodium:solute symporter (SSF) (TC 2.A.21) family | SLC5A4 | 6527; | Homo sapiens (Human) | 2.89233 | 2 | |
P31639 | Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ... | Sodium:solute symporter (SSF) (TC 2.A.21) family | SLC5A2 | 6524; | Homo sapiens (Human) | 2.7634 | 3 | |
P04746 | Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase) | Glycosyl hydrolase 13 family | AMY2A | 279; | Homo sapiens (Human) | 2.52288 | 4 | |
Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 2.30958 | 5 | |
Q92633 | Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR1 | 1902; | Homo sapiens (Human) | 2.27998 | 6 | |
Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ... | G-protein coupled receptor 1 family | GPR17 | 2840; | Homo sapiens (Human) | 2.2501 | 7 | |
P51582 | P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR) | G-protein coupled receptor 1 family | P2RY4 | 5030; | Homo sapiens (Human) | 2.17332 | 8 | |
Q96GD4 | Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ... | Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamily | AURKB | 9212; | Homo sapiens (Human) | 2.13551 | 9 | |
P43166 | Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA7 | 766; | Homo sapiens (Human) | 2.07305 | 10 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 2.036 | 11 | |
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) | 2.01006 | 12 | |
P60842 | Eukaryotic initiation factor 4A-I (eIF-4A-I) (eIF4A-I) (EC 3.6.4.13) (ATP-dependent RNA ... | DEAD box helicase family, eIF4A subfamily | EIF4A1 | 1973; | Homo sapiens (Human) | 1.98195 | 13 | |
P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 1.93344 | 14 | |
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) | 1.90284 | 15 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.818 | 16 | |
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) | 1.70455 | 17 | |
P00748 | Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ... | Peptidase S1 family | F12 | 2161; | Homo sapiens (Human) | 1.69414 | 18 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.59855 | 19 | |
P14618 | Pyruvate kinase PKM (EC 2.7.1.40) (Cytosolic thyroid hormone-binding protein) (CTHBP) ... | Pyruvate kinase family | PKM | 5315; | Homo sapiens (Human) | 1.59423 | 20 | |
P35348 | Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ... | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamily | ADRA1A | 148; | Homo sapiens (Human) | 1.59323 | 21 | |
Q15077 | P2Y purinoceptor 6 (P2Y6) | G-protein coupled receptor 1 family | P2RY6 | 5031; | Homo sapiens (Human) | 1.54461 | 22 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.50643 | 23 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.48645 | 24 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 1.4835 | 25 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 1.47185 | 26 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.46075 | 27 | |
P35462 | D(3) dopamine receptor (Dopamine D3 receptor) | G-protein coupled receptor 1 family | DRD3 | 1814; | Homo sapiens (Human) | 1.37068 | 28 | |
P35228 | Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ... | NOS family | NOS2 | 4843; | Homo sapiens (Human) | 1.36342 | 29 | |
P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA1 | 759; | Homo sapiens (Human) | 1.35172 | 30 | |
Q9ULY5 | C-type lectin domain family 4 member E (C-type lectin superfamily ... | CLEC4E | 26253; | Homo sapiens (Human) | 1.32343 | 31 | ||
Q96LB1 | Mas-related G-protein coupled receptor member X2 | G-protein coupled receptor 1 family, Mas subfamily | MRGPRX2 | 117194; | Homo sapiens (Human) | 1.31632 | 32 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 1.29719 | 33 | |
P11413 | Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49) | Glucose-6-phosphate dehydrogenase family | G6PD | 2539; | Homo sapiens (Human) | 1.28272 | 34 | |
Q9HCG7 | Non-lysosomal glucosylceramidase (NLGase) (EC 3.2.1.45) (Beta-glucocerebrosidase 2) (Beta-glucosidase 2) (Bile ... | Non-lysosomal glucosylceramidase family | GBA2 | 57704; | Homo sapiens (Human) | 1.28063 | 35 | |
Q15391 | P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor) | G-protein coupled receptor 1 family | P2RY14 | 9934; | Homo sapiens (Human) | 1.26178 | 36 | |
Q9H244 | P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ... | G-protein coupled receptor 1 family | P2RY12 | 64805; | Homo sapiens (Human) | 1.25939 | 37 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 1.25736 | 38 | |
P41231 | P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ... | G-protein coupled receptor 1 family | P2RY2 | 5029; | Homo sapiens (Human) | 1.24729 | 39 | |
Q99720 | Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ... | ERG2 family | SIGMAR1 | 10280; | Homo sapiens (Human) | 1.23139 | 40 | |
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) | 1.22384 | 41 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.21286 | 42 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 1.18513 | 43 | |
P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | CNR1 | 1268; | Homo sapiens (Human) | 1.17154 | 44 | |
Q99677 | Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled ... | G-protein coupled receptor 1 family | LPAR4 | 2846; | Homo sapiens (Human) | 1.17123 | 45 | |
P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 1.15351 | 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) | 1.15293 | 47 | |
Q13639 | 5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4) | G-protein coupled receptor 1 family | HTR4 | 3360; | Homo sapiens (Human) | 1.13923 | 48 | |
P12872 | Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)] | Motilin family | MLN | 4295; | Homo sapiens (Human) | 1.13298 | 49 | |
Q16706 | Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ... | Glycosyl hydrolase 38 family | MAN2A1 | 4124; | Homo sapiens (Human) | 1.1156 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
10240 | 2024-04-24 16:59:07 | 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 |