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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
O1[C@H]([C@@H]([C@H](C[C@@H]1O[C@@H]1c2c(c(c3c(c2O)C(=O)c2c(C3=O)cccc2OC)O)C[C@](C1)(C(=O)CO)O)N)O)C

Prepared SMILES:
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC

Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0009447731
P42858Huntingtin (Huntington disease protein) (HD protein) [Cleaved into: Huntingtin, myristoylated ...Huntingtin familyP428583064Homo sapiens (Human)0.0007506982
O00167Eyes absent homolog 2 (EC 3.1.3.48)HAD-like hydrolase superfamily, EYA familyO001672139Homo sapiens (Human)0.0006655923
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0005942034
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.0005895345
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)P106364137Homo sapiens (Human)0.0005855286
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.0005447037
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyO957499453Homo sapiens (Human)0.0005202438
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.0005043669
P26447Protein S100-A4 (Calvasculin) (Metastasin) (Placental calcium-binding protein) (Protein Mts1) (S100 ...S-100 familyP264476275Homo sapiens (Human)0.00049816810
P6198114-3-3 protein gamma (Protein kinase C inhibitor protein 1) (KCIP-1) ...14-3-3 familyP619817532Homo sapiens (Human)0.00049816811
Q99700Ataxin-2 (Spinocerebellar ataxia type 2 protein) (Trinucleotide repeat-containing gene 13 ...Ataxin-2 familyQ997006311Homo sapiens (Human)0.00044663812
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00043362813
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00042937714
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Estrone sulfatase) (Steroid sulfatase) ...Sulfatase familyP08842412Homo sapiens (Human)0.00042876115
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00042709616
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.0004248517
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00041735918
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.0003936419
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00038632220
P02675Fibrinogen beta chain [Cleaved into: Fibrinopeptide B; Fibrinogen beta chain]P026752244Homo sapiens (Human)0.00038609121
Q9Y6Q9Nuclear receptor coactivator 3 (NCoA-3) (EC 2.3.1.48) (ACTR) (Amplified in ...SRC/p160 nuclear receptor coactivator familyQ9Y6Q98202Homo sapiens (Human)0.00038507322
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00038093123
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.00037876824
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00037767125
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyP372315468Homo sapiens (Human)0.00036318926
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyP143242224Homo sapiens (Human)0.00036069427
Q13148TAR DNA-binding protein 43 (TDP-43)Q1314823435Homo sapiens (Human)0.00035426628
Q99816Tumor susceptibility gene 101 protein (ESCRT-I complex subunit TSG101)Ubiquitin-conjugating enzyme family, UEV subfamilyQ998167251Homo sapiens (Human)0.00035421429
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyQ9UBT651426Homo sapiens (Human)0.00034878830
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)0.00034836131
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00032943132
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyQ927312100Homo sapiens (Human)0.00031955633
Q14191Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN (DNA helicase, RecQ-like type 3) ...Helicase family, RecQ subfamilyQ141917486Homo sapiens (Human)0.00031657134
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP273384129Homo sapiens (Human)0.00031199635
Q9NR56Muscleblind-like protein 1 (Triplet-expansion RNA-binding protein)Muscleblind familyQ9NR564154Homo sapiens (Human)0.0003105136
P312133-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...Steroid 5-alpha reductase familyP312136716Homo sapiens (Human)0.00030083537
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyP29274135Homo sapiens (Human)0.00029524538
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00029506439
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.00029321940
P33527Multidrug resistance-associated protein 1 (EC 7.6.2.2) (ATP-binding cassette sub-family C ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyP335274363Homo sapiens (Human)0.0002886241
P11308Transcriptional regulator ERG (Transforming protein ERG)ETS familyP113082078Homo sapiens (Human)0.00027975942
P12872Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]Motilin familyP128724295Homo sapiens (Human)0.0002785343
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00027555644
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00027483845
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyP144161813Homo sapiens (Human)0.00027403446
P09917Polyunsaturated fatty acid 5-lipoxygenase (EC 1.13.11.-) (Arachidonate 5-lipoxygenase) (5-LO) (5-lipoxygenase) ...Lipoxygenase familyP09917240Homo sapiens (Human)0.00026762747
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyP411454986Homo sapiens (Human)0.00026698648
P15559NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ...NAD(P)H dehydrogenase (quinone) familyP155591728Homo sapiens (Human)0.00026002149
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.00025938550

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
191512025-11-17
16:03:24		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

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