Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase) | Dihydroorotate dehydrogenase family, Type 2 subfamily | DHODH | 1723; | Homo sapiens (Human) | 0.0659807 | Known |
P00374 | Dihydrofolate reductase (EC 1.5.1.3) | Dihydrofolate reductase family | DHFR | 1719; | Homo sapiens (Human) | 0.0630944 | Known | |
P04062 | Lysosomal acid glucosylceramidase (Lysosomal acid GCase) (EC 3.2.1.45) (Acid beta-glucosidase) ... | Glycosyl hydrolase 30 family | GBA | 2629; | Homo sapiens (Human) | 0.00299829 | 1 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.00265998 | 2 | |
P06865 | Beta-hexosaminidase subunit alpha (EC 3.2.1.52) (Beta-N-acetylhexosaminidase subunit alpha) (Hexosaminidase subunit ... | Glycosyl hydrolase 20 family | HEXA | 3073; | Homo sapiens (Human) | 0.00265608 | 3 | |
O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (EC 1.1.1.42) (Cytosolic NADP-isocitrate dehydrogenase) ... | Isocitrate and isopropylmalate dehydrogenases family | IDH1 | 3417; | Homo sapiens (Human) | 0.00242396 | 4 | |
P07686 | Beta-hexosaminidase subunit beta (EC 3.2.1.52) (Beta-N-acetylhexosaminidase subunit beta) (Hexosaminidase subunit ... | Glycosyl hydrolase 20 family | HEXB | 3074; | Homo sapiens (Human) | 0.00208678 | 5 | |
P04818 | Thymidylate synthase (TS) (TSase) (EC 2.1.1.45) | Thymidylate synthase family | TYMS | 7298; | Homo sapiens (Human) | 0.00160279 | 6 | |
P83916 | Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ... | CBX1 | 10951; | Homo sapiens (Human) | 0.00149019 | 7 | ||
P41440 | Folate transporter 1 (FOLT) (Intestinal folate carrier 1) (IFC-1) (Placental ... | Reduced folate carrier (RFC) transporter (TC 2.A.48) family | SLC19A1 | 6573; | Homo sapiens (Human) | 0.00135763 | 8 | |
Q16236 | Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ... | BZIP family, CNC subfamily | NFE2L2 | 4780; | Homo sapiens (Human) | 0.000739422 | 9 | |
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) | 0.000716526 | 10 | |
P22102 | Trifunctional purine biosynthetic protein adenosine-3 [Includes: Phosphoribosylamine--glycine ligase (EC 6.3.4.13) ... | GARS family; AIR synthase family; GART family | GART | 2618; | Homo sapiens (Human) | 0.00070443 | 11 | |
P14207 | Folate receptor beta (FR-beta) (Folate receptor 2) (Folate receptor, fetal/placental) ... | Folate receptor family | FOLR2 | 2350; | Homo sapiens (Human) | 0.000630234 | 12 | |
P15328 | Folate receptor alpha (FR-alpha) (Adult folate-binding protein) (FBP) (Folate receptor ... | Folate receptor family | FOLR1 | 2348; | Homo sapiens (Human) | 0.000630234 | 13 | |
Q96NT5 | Proton-coupled folate transporter (G21) (Heme carrier protein 1) (PCFT/HCP1) (Solute ... | Major facilitator superfamily, SLC46A family | SLC46A1 | 113235; | Homo sapiens (Human) | 0.000630234 | 14 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 0.000622863 | 15 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 0.000582956 | 16 | |
P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 0.000577352 | 17 | |
Q96FL8 | Multidrug and toxin extrusion protein 1 (MATE-1) (hMATE-1) (Solute carrier ... | Multi antimicrobial extrusion (MATE) (TC 2.A.66.1) family | SLC47A1 | 55244; | Homo sapiens (Human) | 0.000549371 | 18 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 0.000534893 | 19 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.000523318 | 20 | |
Q05932 | Folylpolyglutamate synthase, mitochondrial (EC 6.3.2.17) (Folylpoly-gamma-glutamate synthetase) (FPGS) (Tetrahydrofolylpolyglutamate synthase) ... | Folylpolyglutamate synthase family | FPGS | 2356; | Homo sapiens (Human) | 0.000505862 | 21 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 0.000500705 | 22 | |
P00533 | Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ... | Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamily | EGFR | 1956; | Homo sapiens (Human) | 0.000398773 | 23 | |
P78527 | DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ... | PI3/PI4-kinase family | PRKDC | 5591; | Homo sapiens (Human) | 0.000349675 | 24 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 0.000349328 | 25 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 0.000341403 | 26 | |
Q06187 | Tyrosine-protein kinase BTK (EC 2.7.10.2) (Agammaglobulinemia tyrosine kinase) (ATK) (B-cell ... | Protein kinase superfamily, Tyr protein kinase family, TEC subfamily | BTK | 695; | Homo sapiens (Human) | 0.000337624 | 27 | |
P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 0.000336241 | 28 | |
P35968 | Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ... | Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily | KDR | 3791; | Homo sapiens (Human) | 0.000331958 | 29 | |
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) | 0.000329358 | 30 | |
P05177 | Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ... | Cytochrome P450 family | CYP1A2 | 1544; | Homo sapiens (Human) | 0.000322823 | 31 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 0.000319897 | 32 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 0.000316583 | 33 | |
P29275 | Adenosine receptor A2b | G-protein coupled receptor 1 family | ADORA2B | 136; | Homo sapiens (Human) | 0.000308789 | 34 | |
Q92769 | Histone deacetylase 2 (HD2) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC2 | 3066; | Homo sapiens (Human) | 0.000305239 | 35 | |
P49841 | Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamily | GSK3B | 2932; | Homo sapiens (Human) | 0.000301309 | 36 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000298998 | 37 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 0.000297438 | 38 | |
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) | 0.000293836 | 39 | |
O15392 | Baculoviral IAP repeat-containing protein 5 (Apoptosis inhibitor 4) (Apoptosis inhibitor ... | IAP family | BIRC5 | 332; | Homo sapiens (Human) | 0.000291773 | 40 | |
P04626 | Receptor tyrosine-protein kinase erbB-2 (EC 2.7.10.1) (Metastatic lymph node gene ... | Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamily | ERBB2 | 2064; | Homo sapiens (Human) | 0.000291594 | 41 | |
P08684 | Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ... | Cytochrome P450 family | CYP3A4 | 1576; | Homo sapiens (Human) | 0.000289069 | 42 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 0.000288213 | 43 | |
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) | 0.000284419 | 44 | |
Q8IXJ6 | NAD-dependent protein deacetylase sirtuin-2 (EC 3.5.1.-) (Regulatory protein SIR2 homolog ... | Sirtuin family, Class I subfamily | SIRT2 | 22933; | Homo sapiens (Human) | 0.000283625 | 45 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 0.000282502 | 46 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 0.000272776 | 47 | |
Q12809 | Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ... | Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamily | KCNH2 | 3757; | Homo sapiens (Human) | 0.00027062 | 48 | |
Q14416 | Metabotropic glutamate receptor 2 (mGluR2) | G-protein coupled receptor 3 family | GRM2 | 2912; | Homo sapiens (Human) | 0.000270407 | 49 | |
P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | CNR1 | 1268; | Homo sapiens (Human) | 0.000268688 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
1821 | 2021-09-16 14:58:28 | 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 |