Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P38398 | Breast cancer type 1 susceptibility protein (EC 2.3.2.27) (RING finger ... | BRCA1 | 672; | Homo sapiens (Human) | 0.0547202 | Known | |
P51151 | Ras-related protein Rab-9A | Small GTPase superfamily, Rab family | RAB9A | 9367; | Homo sapiens (Human) | 0.0522991 | Known | |
O15118 | NPC intracellular cholesterol transporter 1 (Niemann-Pick C1 protein) | Patched family | NPC1 | 4864; | Homo sapiens (Human) | 0.0521813 | Known | |
Q16637 | Survival motor neuron protein (Component of gems 1) (Gemin-1) | SMN family | SMN1; SMN2 | 6606;6607; | Homo sapiens (Human) | 0.0155582 | 1 | |
Q96QE3 | ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ... | AAA ATPase family | ATAD5 | 79915; | Homo sapiens (Human) | 0.00807217 | 2 | |
P40225 | Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ... | EPO/TPO family | THPO | 7066; | Homo sapiens (Human) | 0.0060995 | 3 | |
Q04206 | Transcription factor p65 (Nuclear factor NF-kappa-B p65 subunit) (Nuclear factor ... | RELA | 5970; | Homo sapiens (Human) | 0.00526555 | 4 | ||
O94788 | Retinal dehydrogenase 2 (RALDH 2) (RalDH2) (EC 1.2.1.36) (Aldehyde dehydrogenase ... | Aldehyde dehydrogenase family | ALDH1A2 | 8854; | Homo sapiens (Human) | 0.00503429 | 5 | |
P30837 | Aldehyde dehydrogenase X, mitochondrial (EC 1.2.1.3) (Aldehyde dehydrogenase 5) (Aldehyde ... | Aldehyde dehydrogenase family | ALDH1B1 | 219; | Homo sapiens (Human) | 0.00503429 | 6 | |
O60760 | Hematopoietic prostaglandin D synthase (H-PGDS) (EC 5.3.99.2) (GST class-sigma) (Glutathione ... | GST superfamily, Sigma family | HPGDS | 27306; | Homo sapiens (Human) | 0.00485595 | 7 | |
P13569 | Cystic fibrosis transmembrane conductance regulator (CFTR) (ATP-binding cassette sub-family C ... | ABC transporter superfamily, ABCC family, CFTR transporter (TC 3.A.1.202) subfamily | CFTR | 1080; | Homo sapiens (Human) | 0.00459169 | 8 | |
Q14833 | Metabotropic glutamate receptor 4 (mGluR4) | G-protein coupled receptor 3 family | GRM4 | 2914; | Homo sapiens (Human) | 0.00431196 | 9 | |
O94782 | Ubiquitin carboxyl-terminal hydrolase 1 (EC 3.4.19.12) (Deubiquitinating enzyme 1) (hUBP) ... | Peptidase C19 family | USP1 | 7398; | Homo sapiens (Human) | 0.0043078 | 10 | |
P16050 | Arachidonate 15-lipoxygenase (15-LOX) (15-LOX-1) (EC 1.13.11.33) (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) ... | Lipoxygenase family | ALOX15 | 246; | Homo sapiens (Human) | 0.0042565 | 11 | |
P35414 | Apelin receptor (Angiotensin receptor-like 1) (G-protein coupled receptor APJ) (G-protein ... | G-protein coupled receptor 1 family | APLNR | 187; | Homo sapiens (Human) | 0.00415192 | 12 | |
P05091 | Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI) | Aldehyde dehydrogenase family | ALDH2 | 217; | Homo sapiens (Human) | 0.00358879 | 13 | |
P14618 | Pyruvate kinase PKM (EC 2.7.1.40) (Cytosolic thyroid hormone-binding protein) (CTHBP) ... | Pyruvate kinase family | PKM | 5315; | Homo sapiens (Human) | 0.0030054 | 14 | |
Q9BQF6 | Sentrin-specific protease 7 (EC 3.4.22.-) (SUMO-1-specific protease 2) (Sentrin/SUMO-specific protease ... | Peptidase C48 family | SENP7 | 57337; | Homo sapiens (Human) | 0.00276851 | 15 | |
P39748 | Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ... | XPG/RAD2 endonuclease family, FEN1 subfamily | FEN1 | 2237; | Homo sapiens (Human) | 0.00264265 | 16 | |
P60568 | Interleukin-2 (IL-2) (T-cell growth factor) (TCGF) (Aldesleukin) | IL-2 family | IL2 | 3558; | Homo sapiens (Human) | 0.00263834 | 17 | |
P42224 | Signal transducer and activator of transcription 1-alpha/beta (Transcription factor ISGF-3 ... | Transcription factor STAT family | STAT1 | 6772; | Homo sapiens (Human) | 0.00250851 | 18 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 0.0023508 | 19 | |
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) | 0.00231212 | 20 | |
Q9UNA4 | DNA polymerase iota (EC 2.7.7.7) (Eta2) (RAD30 homolog B) | DNA polymerase type-Y family | POLI | 11201; | Homo sapiens (Human) | 0.00225152 | 21 | |
O15439 | Multidrug resistance-associated protein 4 (ATP-binding cassette sub-family C member 4) ... | ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamily | ABCC4 | 10257; | Homo sapiens (Human) | 0.00189839 | 22 | |
Q9HC97 | G-protein coupled receptor 35 (Kynurenic acid receptor) (KYNA receptor) | G-protein coupled receptor 1 family | GPR35 | 2859; | Homo sapiens (Human) | 0.00189514 | 23 | |
Q8TCT1 | Phosphoethanolamine/phosphocholine phosphatase (EC 3.1.3.75) | HAD-like hydrolase superfamily, PHOSPHO family | PHOSPHO1 | 162466; | Homo sapiens (Human) | 0.00185153 | 24 | |
Q9GZR1 | Sentrin-specific protease 6 (EC 3.4.22.-) (SUMO-1-specific protease 1) (Sentrin/SUMO-specific protease ... | Peptidase C48 family | SENP6 | 26054; | Homo sapiens (Human) | 0.00178728 | 25 | |
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) | 0.00177651 | 26 | |
P33261 | Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ... | Cytochrome P450 family | CYP2C19 | 1557; | Homo sapiens (Human) | 0.0017647 | 27 | |
P42858 | Huntingtin (Huntington disease protein) (HD protein) | Huntingtin family | HTT | 3064; | Homo sapiens (Human) | 0.00159536 | 28 | |
Q16236 | Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ... | BZIP family, CNC subfamily | NFE2L2 | 4780; | Homo sapiens (Human) | 0.00157576 | 29 | |
P30556 | Type-1 angiotensin II receptor (AT1AR) (AT1BR) (Angiotensin II type-1 receptor) ... | G-protein coupled receptor 1 family | AGTR1 | 185; | Homo sapiens (Human) | 0.00156506 | 30 | |
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) | 0.00154479 | 31 | |
P53350 | Serine/threonine-protein kinase PLK1 (EC 2.7.11.21) (Polo-like kinase 1) (PLK-1) (Serine/threonine-protein ... | Protein kinase superfamily, Ser/Thr protein kinase family, CDC5/Polo subfamily | PLK1 | 5347; | Homo sapiens (Human) | 0.00153691 | 32 | |
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) | 0.0015033 | 33 | |
P04637 | Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ... | P53 family | TP53 | 7157; | Homo sapiens (Human) | 0.00142092 | 34 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.00138683 | 35 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 0.0013583 | 36 | |
Q14164 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon (I-kappa-B kinase ... | Protein kinase superfamily, Ser/Thr protein kinase family, I-kappa-B kinase subfamily | IKBKE | 9641; | Homo sapiens (Human) | 0.00130126 | 37 | |
Q16678 | Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1) | Cytochrome P450 family | CYP1B1 | 1545; | Homo sapiens (Human) | 0.00127021 | 38 | |
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) | 0.0012195 | 39 | |
P05164 | Myeloperoxidase (MPO) (EC 1.11.2.2) [Cleaved into: Myeloperoxidase; 89 kDa myeloperoxidase; ... | Peroxidase family, XPO subfamily | MPO | 4353; | Homo sapiens (Human) | 0.00119884 | 40 | |
P15289 | Arylsulfatase A (ASA) (EC 3.1.6.8) (Cerebroside-sulfatase) [Cleaved into: Arylsulfatase A ... | Sulfatase family | ARSA | 410; | Homo sapiens (Human) | 0.00116343 | 41 | |
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) | 0.00116001 | 42 | |
Q96LD8 | Sentrin-specific protease 8 (EC 3.4.22.-) (Deneddylase-1) (NEDD8-specific protease 1) (Protease, ... | Peptidase C48 family | SENP8 | 123228; | Homo sapiens (Human) | 0.00112769 | 43 | |
P35869 | Aryl hydrocarbon receptor (Ah receptor) (AhR) (Class E basic helix-loop-helix ... | AHR | 196; | Homo sapiens (Human) | 0.00110954 | 44 | ||
P07099 | Epoxide hydrolase 1 (EC 3.3.2.9) (Epoxide hydratase) (Microsomal epoxide hydrolase) ... | Peptidase S33 family | EPHX1 | 2052; | Homo sapiens (Human) | 0.00109544 | 45 | |
Q9UHD2 | Serine/threonine-protein kinase TBK1 (EC 2.7.11.1) (NF-kappa-B-activating kinase) (T2K) (TANK-binding kinase ... | Protein kinase superfamily, Ser/Thr protein kinase family, I-kappa-B kinase subfamily | TBK1 | 29110; | Homo sapiens (Human) | 0.00108239 | 46 | |
Q13255 | Metabotropic glutamate receptor 1 (mGluR1) | G-protein coupled receptor 3 family | GRM1 | 2911; | Homo sapiens (Human) | 0.00107747 | 47 | |
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) | 0.00105476 | 48 | |
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) | 0.00101974 | 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) | 0.000984336 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
1823 | 2021-09-16 15:15:39 | 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 |