Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P37058 | Testosterone 17-beta-dehydrogenase 3 (EC 1.1.1.64) (17-beta-hydroxysteroid dehydrogenase type 3) (17-beta-HSD ... | Short-chain dehydrogenases/reductases (SDR) family, 17-beta-HSD 3 subfamily | HSD17B3 | 3293; | Homo sapiens (Human) | 3.02112 | 1 |
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) | 2.39386 | 2 | |
P43166 | Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA7 | 766; | Homo sapiens (Human) | 2.18816 | Known | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 1.97187 | Known | |
Q9NY33 | Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ... | Peptidase M49 family | DPP3 | 10072; | Homo sapiens (Human) | 1.7413 | 3 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 1.50966 | 4 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.47228 | Known | |
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) | 1.45231 | 5 | |
P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 1.24598 | 6 | |
Q9ULX7 | Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA14 | 23632; | Homo sapiens (Human) | 1.23861 | 7 | |
Q16678 | Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1) | Cytochrome P450 family | CYP1B1 | 1545; | Homo sapiens (Human) | 1.23723 | 8 | |
P62508 | Estrogen-related receptor gamma (ERR gamma-2) (Estrogen receptor-related protein 3) (Nuclear ... | Nuclear hormone receptor family, NR3 subfamily | ESRRG | 2104; | Homo sapiens (Human) | 1.22212 | 9 | |
P40225 | Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ... | EPO/TPO family | THPO | 7066; | Homo sapiens (Human) | 1.20809 | 10 | |
P05091 | Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI) | Aldehyde dehydrogenase family | ALDH2 | 217; | Homo sapiens (Human) | 1.07834 | Known | |
Q16875 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (6PF-2-K/Fru-2,6-P2ase 3) (PFK/FBPase 3) (6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme) (Renal ... | Phosphoglycerate mutase family | PFKFB3 | 5209; | Homo sapiens (Human) | 1.02283 | 11 | |
P60568 | Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin) | IL-2 family | IL2 | 3558; | Homo sapiens (Human) | 0.984982 | 12 | |
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) | 0.979764 | 13 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 0.910536 | Known | |
O75493 | Carbonic anhydrase-related protein 11 (CA-RP XI) (CA-XI) (CARP XI) (Carbonic ... | Alpha-carbonic anhydrase family | CA11 | 770; | Homo sapiens (Human) | 0.906857 | 14 | |
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) | 0.90267 | 15 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 0.902332 | 16 | |
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) | 0.874191 | 17 | |
P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 0.797617 | 18 | ||
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) | 0.79578 | 19 | |
P16152 | Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) (15-hydroxyprostaglandin dehydrogenase [NADP(+)]) (EC ... | Short-chain dehydrogenases/reductases (SDR) family | CBR1 | 873; | Homo sapiens (Human) | 0.794451 | 20 | |
Q13255 | Metabotropic glutamate receptor 1 (mGluR1) | G-protein coupled receptor 3 family | GRM1 | 2911; | Homo sapiens (Human) | 0.782452 | 21 | |
P23280 | Carbonic anhydrase 6 (EC 4.2.1.1) (Carbonate dehydratase VI) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA6 | 765; | Homo sapiens (Human) | 0.76176 | 22 | |
P53779 | Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ... | MAPK10 | 5602; | Homo sapiens (Human) | 0.761233 | 23 | |
P78527 | DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ... | PI3/PI4-kinase family | PRKDC | 5591; | Homo sapiens (Human) | 0.738167 | 24 | |
P51151 | Ras-related protein Rab-9A | Small GTPase superfamily, Rab family | RAB9A | 9367; | Homo sapiens (Human) | 0.734048 | 25 | |
Q9Y2D0 | Carbonic anhydrase 5B, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VB) (Carbonic ... | Alpha-carbonic anhydrase family | CA5B | 11238; | Homo sapiens (Human) | 0.726574 | 26 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.720869 | 27 | |
P30556 | Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) ... | G-protein coupled receptor 1 family | AGTR1 | 185; | Homo sapiens (Human) | 0.712674 | 28 | |
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) | 0.710088 | 29 | |
O75608 | Acyl-protein thioesterase 1 (APT-1) (hAPT1) (EC 3.1.2.-) (Lysophospholipase 1) (Lysophospholipase ... | AB hydrolase superfamily, AB hydrolase 2 family | LYPLA1 | 10434; | Homo sapiens (Human) | 0.675269 | 30 | |
P37059 | Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ... | Short-chain dehydrogenases/reductases (SDR) family | HSD17B2 | 3294; | Homo sapiens (Human) | 0.668193 | 31 | |
P08238 | Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ... | Heat shock protein 90 family | HSP90AB1 | 3326; | Homo sapiens (Human) | 0.662188 | 32 | |
P42224 | Signal transducer and activator of transcription 1-alpha/beta (Transcription factor ISGF-3 ... | Transcription factor STAT family | STAT1 | 6772; | Homo sapiens (Human) | 0.660425 | 33 | |
P35218 | Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ... | Alpha-carbonic anhydrase family | CA5A | 763; | Homo sapiens (Human) | 0.645273 | 34 | |
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) | 0.617508 | 35 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.604489 | 36 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 0.589175 | 37 | |
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) | 0.58585 | 38 | |
O95718 | Steroid hormone receptor ERR2 (ERR beta-2) (Estrogen receptor-like 2) (Estrogen-related ... | Nuclear hormone receptor family, NR3 subfamily | ESRRB | 2103; | Homo sapiens (Human) | 0.583483 | 39 | |
P22748 | Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA4 | 762; | Homo sapiens (Human) | 0.5698 | Known | |
Q8N1Q1 | Carbonic anhydrase 13 (EC 4.2.1.1) (Carbonate dehydratase XIII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA13 | 377677; | Homo sapiens (Human) | 0.564586 | 40 | |
Q9GZV3 | High affinity choline transporter 1 (Hemicholinium-3-sensitive choline transporter) (CHT) (Solute ... | Sodium:solute symporter (SSF) (TC 2.A.21) family | SLC5A7 | 60482; | Homo sapiens (Human) | 0.564384 | 41 | |
Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ... | Short-chain dehydrogenases/reductases (SDR) family | HSD17B10 | 3028; | Homo sapiens (Human) | 0.560015 | 42 | |
P04798 | Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ... | Cytochrome P450 family | CYP1A1 | 1543; | Homo sapiens (Human) | 0.558341 | 43 | |
P11474 | Steroid hormone receptor ERR1 (Estrogen receptor-like 1) (Estrogen-related receptor alpha) ... | Nuclear hormone receptor family, NR3 subfamily | ESRRA | 2101; | Homo sapiens (Human) | 0.556396 | 44 | |
O95372 | Acyl-protein thioesterase 2 (APT-2) (EC 3.1.2.-) (Lysophospholipase II) (LPL-II) (LysoPLA ... | AB hydrolase superfamily, AB hydrolase 2 family | LYPLA2 | 11313; | Homo sapiens (Human) | 0.548515 | 45 | |
P43490 | Nicotinamide phosphoribosyltransferase (NAmPRTase) (Nampt) (EC 2.4.2.12) (Pre-B-cell colony-enhancing factor 1) ... | NAPRTase family | NAMPT | 10135; | Homo sapiens (Human) | 0.545049 | 46 | |
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) | 0.529461 | 47 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 0.517491 | 48 | |
Q04206 | Transcription factor p65 (Nuclear factor NF-kappa-B p65 subunit) (Nuclear factor ... | RELA | 5970; | Homo sapiens (Human) | 0.485399 | 49 | ||
P11712 | Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ... | Cytochrome P450 family | CYP2C9 | 1559; | Homo sapiens (Human) | 0.480462 | Known | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 0.478973 | 50 | |
O15118 | NPC intracellular cholesterol transporter 1 (Niemann-Pick C1 protein) | Patched family | NPC1 | 4864; | Homo sapiens (Human) | 0.355607 | Known |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
10269 | 2024-04-25 20:46:51 | 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 |