Job ID(s):

Get results

Results

Download as: CSV TSV

CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
c1(c(cccc1)C(=O)OCCCC)C(=O)OCCCC

Prepared SMILES:
CCCCOC(=O)c1ccccc1C(=O)OCCCC

P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.0301019Known
Q03181Peroxisome proliferator-activated receptor delta (PPAR-delta) (NUCI) (Nuclear hormone receptor 1) ...Nuclear hormone receptor family, NR1 subfamilyQ031815467Homo sapiens (Human)0.0269151Known
Q99700Ataxin-2 (Spinocerebellar ataxia type 2 protein) (Trinucleotide repeat-containing gene 13 ...Ataxin-2 familyQ997006311Homo sapiens (Human)0.0121441Known
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyQ078695465Homo sapiens (Human)0.01005251
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyP372315468Homo sapiens (Human)0.009085912
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.004451823
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00429714
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.004111385
P35398Nuclear receptor ROR-alpha (Nuclear receptor RZR-alpha) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP353986095Homo sapiens (Human)0.004007156
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.003884827
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.003741988
P04637Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ...P53 familyP046377157Homo sapiens (Human)0.00371229
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.0036911810
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.0034693411
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.0030482512
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.0028435713
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.0027761114
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.0026836115
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.367) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyQ96KQ710919Homo sapiens (Human)0.0025833816
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.0024299317
P19793Retinoic acid receptor RXR-alpha (Nuclear receptor subfamily 2 group B ...Nuclear hormone receptor family, NR2 subfamilyP197936256Homo sapiens (Human)0.0023540618
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.0022662219
O15118NPC intracellular cholesterol transporter 1 (Niemann-Pick C1 protein)Patched familyO151184864Homo sapiens (Human)0.0022639820
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyQ969R223762Homo sapiens (Human)0.0022488821
P51151Ras-related protein Rab-9ASmall GTPase superfamily, Rab familyP511519367Homo sapiens (Human)0.0022361722
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.0021815123
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.0021552924
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyQ8TDS5165140Homo sapiens (Human)0.0021497425
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.0020911426
Q01469Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyQ014692171Homo sapiens (Human)0.0020833427
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyQ96RI19971Homo sapiens (Human)0.0020548228
P00352Aldehyde dehydrogenase 1A1 (EC 1.2.1.19) (EC 1.2.1.28) (EC 1.2.1.3) (EC ...Aldehyde dehydrogenase familyP00352216Homo sapiens (Human)0.0020353829
P28482Mitogen-activated protein kinase 1 (MAP kinase 1) (MAPK 1) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...P284825594Homo sapiens (Human)0.0019467730
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyQ1313310062Homo sapiens (Human)0.001926831
O94782Ubiquitin carboxyl-terminal hydrolase 1 (EC 3.4.19.12) (Deubiquitinating enzyme 1) (hUBP) ...Peptidase C19 familyO947827398Homo sapiens (Human)0.0018357632
P08684Cytochrome P450 3A4 (EC 1.14.14.1) (1,4-cineole 2-exo-monooxygenase) (1,8-cineole 2-exo-monooxygenase) (EC ...Cytochrome P450 familyP086841576Homo sapiens (Human)0.0017821533
P15289Arylsulfatase A (ASA) (EC 3.1.6.8) (Cerebroside-sulfatase) [Cleaved into: Arylsulfatase A ...Sulfatase familyP15289410Homo sapiens (Human)0.0017440734
Q13148TAR DNA-binding protein 43 (TDP-43)Q1314823435Homo sapiens (Human)0.0016968835
Q9UHC9NPC1-like intracellular cholesterol transporter 1 (NPC1L1) (Niemann-Pick C1-like protein 1)Patched familyQ9UHC929881Homo sapiens (Human)0.0016218736
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)P106364137Homo sapiens (Human)0.0015808637
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-estradiol 17-dehydrogenase) (EC 1.1.1.62) (2-methyl-3-hydroxybutyryl-CoA ...Short-chain dehydrogenases/reductases (SDR) familyQ997143028Homo sapiens (Human)0.0015578238
Q9HC16DNA dC->dU-editing enzyme APOBEC-3G (EC 3.5.4.38) (APOBEC-related cytidine deaminase) (APOBEC-related ...Cytidine and deoxycytidylate deaminase familyQ9HC1660489Homo sapiens (Human)0.0014696539
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.0014572440
P39748Flap endonuclease 1 (FEN-1) (EC 3.1.-.-) (DNase IV) (Flap structure-specific ...XPG/RAD2 endonuclease family, FEN1 subfamilyP397482237Homo sapiens (Human)0.0014400941
Q06710Paired box protein Pax-8Q067107849Homo sapiens (Human)0.001387842
Q9NR56Muscleblind-like protein 1 (Triplet-expansion RNA-binding protein)Muscleblind familyQ9NR564154Homo sapiens (Human)0.0013802743
P16050Polyunsaturated fatty acid lipoxygenase ALOX15 (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) (12-LOX) ...Lipoxygenase familyP16050246Homo sapiens (Human)0.0013789344
P19838Nuclear factor NF-kappa-B p105 subunit (DNA-binding factor KBF1) (EBP-1) (Nuclear ...P198384790Homo sapiens (Human)0.0013780245
P12104Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyP121042169Homo sapiens (Human)0.0013726446
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.0013577247
Q9GZQ4Neuromedin-U receptor 2 (NMU-R2) (G-protein coupled receptor FM-4) (G-protein coupled ...G-protein coupled receptor 1 familyQ9GZQ456923Homo sapiens (Human)0.0012945248
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyP06276590Homo sapiens (Human)0.0012863149
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.0012805950

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192232025-11-17
20:38:51		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network for the study of AA13 (version 2022)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50Download

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 349444 | Page view: 2643138

Copyright © 2019-2023 Laboratory of Molecular Modeling and Design, School of Pharmacy,
East China University of Science and Technology. All rights reserved.