Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P63000 | Ras-related C3 botulinum toxin substrate 1 (Cell migration-inducing gene 5 ... | Small GTPase superfamily, Rho family | RAC1 | 5879; | Homo sapiens (Human) | 0.0383824 | Known |
Q99572 | P2X purinoceptor 7 (P2X7) (ATP receptor) (P2Z receptor) (Purinergic receptor) | P2X receptor family | P2RX7 | 5027; | Homo sapiens (Human) | 0.0187482 | Known | |
P04637 | Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ... | P53 family | TP53 | 7157; | Homo sapiens (Human) | 0.0130645 | Known | |
P49798 | Regulator of G-protein signaling 4 (RGP4) (RGS4) | RGS4 | 5999; | Homo sapiens (Human) | 0.0128536 | Known | ||
P40225 | Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ... | EPO/TPO family | THPO | 7066; | Homo sapiens (Human) | 0.012792 | Known | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.00993984 | Known | |
Q99700 | Ataxin-2 (Spinocerebellar ataxia type 2 protein) (Trinucleotide repeat-containing gene 13 ... | Ataxin-2 family | ATXN2 | 6311; | Homo sapiens (Human) | 0.0095748 | Known | |
Q02156 | Protein kinase C epsilon type (EC 2.7.11.13) (nPKC-epsilon) | Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily | PRKCE | 5581; | Homo sapiens (Human) | 0.00802789 | Known | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.00480838 | Known | |
Q96QE3 | ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ... | AAA ATPase family | ATAD5 | 79915; | Homo sapiens (Human) | 0.00319538 | 1 | |
P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 0.00282281 | 2 | |
P51685 | C-C chemokine receptor type 8 (C-C CKR-8) (CC-CKR-8) (CCR-8) (CC ... | G-protein coupled receptor 1 family | CCR8 | 1237; | Homo sapiens (Human) | 0.00277223 | 3 | |
P84022 | Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ... | Dwarfin/SMAD family | SMAD3 | 4088; | Homo sapiens (Human) | 0.00261904 | 4 | |
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) | 0.00261576 | 5 | |
P14618 | Pyruvate kinase PKM (EC 2.7.1.40) (Cytosolic thyroid hormone-binding protein) (CTHBP) ... | Pyruvate kinase family | PKM | 5315; | Homo sapiens (Human) | 0.00237678 | 6 | |
P11473 | Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ... | Nuclear hormone receptor family, NR1 subfamily | VDR | 7421; | Homo sapiens (Human) | 0.00235196 | 7 | |
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) | 0.00231111 | 8 | |
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) | 0.00228749 | 9 | |
Q13285 | Steroidogenic factor 1 (SF-1) (STF-1) (hSF-1) (Adrenal 4-binding protein) (Fushi ... | Nuclear hormone receptor family, NR5 subfamily | NR5A1 | 2516; | Homo sapiens (Human) | 0.0022313 | 10 | |
P51151 | Ras-related protein Rab-9A | Small GTPase superfamily, Rab family | RAB9A | 9367; | Homo sapiens (Human) | 0.00210731 | 11 | |
O15118 | NPC intracellular cholesterol transporter 1 (Niemann-Pick C1 protein) | Patched family | NPC1 | 4864; | Homo sapiens (Human) | 0.00203935 | 12 | |
P07900 | Heat shock protein HSP 90-alpha (Heat shock 86 kDa) (HSP ... | Heat shock protein 90 family | HSP90AA1 | 3320; | Homo sapiens (Human) | 0.00202396 | 13 | |
P05771 | Protein kinase C beta type (PKC-B) (PKC-beta) (EC 2.7.11.13) | Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily | PRKCB | 5579; | Homo sapiens (Human) | 0.00198191 | 14 | |
P42858 | Huntingtin (Huntington disease protein) (HD protein) | Huntingtin family | HTT | 3064; | Homo sapiens (Human) | 0.00197966 | 15 | |
Q99549 | M-phase phosphoprotein 8 (Two hybrid-associated protein 3 with RanBPM) (Twa3) | MPHOSPH8 | 54737; | Homo sapiens (Human) | 0.00196733 | 16 | ||
P00352 | Retinal dehydrogenase 1 (RALDH 1) (RalDH1) (EC 1.2.1.-) (EC 1.2.1.36) ... | Aldehyde dehydrogenase family | ALDH1A1 | 216; | Homo sapiens (Human) | 0.00186681 | 17 | |
Q16236 | Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ... | BZIP family, CNC subfamily | NFE2L2 | 4780; | Homo sapiens (Human) | 0.0018593 | 18 | |
O75496 | Geminin | Geminin family | GMNN | 51053; | Homo sapiens (Human) | 0.00185688 | 19 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 0.00177162 | 20 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
728 | 2021-01-14 17:25:03 | 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 20 |