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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC

Prepared SMILES:
COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC

P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyP785275591Homo sapiens (Human)0.002041291
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyQ997052847Homo sapiens (Human)0.001447812
P11926Ornithine decarboxylase (ODC) (EC 4.1.1.17)Orn/Lys/Arg decarboxylase class-II familyP119264953Homo sapiens (Human)0.001393913
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP273384129Homo sapiens (Human)0.001233244
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid A4 ...APP familyP05067351Homo sapiens (Human)0.001081195
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.001009416
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyP0DMS8140Homo sapiens (Human)0.0008936457
P16083Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ...NAD(P)H dehydrogenase (quinone) familyP160834835Homo sapiens (Human)0.0008562938
P1406117-beta-hydroxysteroid dehydrogenase type 1 (17-beta-HSD 1) (EC 1.1.1.51) (20 alpha-hydroxysteroid ...Short-chain dehydrogenases/reductases (SDR) familyP140613292Homo sapiens (Human)0.0005508949
O95271Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ...ARTD/PARP familyO952718658Homo sapiens (Human)0.0005146810
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyQ927312100Homo sapiens (Human)0.00051030611
P3705917-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD 2) (20 alpha-hydroxysteroid dehydrogenase) (20-alpha-HSD) ...Short-chain dehydrogenases/reductases (SDR) familyP370593294Homo sapiens (Human)0.0004842312
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (Aldosterone-synthesizing enzyme) (CYPXIB2) ...Cytochrome P450 familyP190991585Homo sapiens (Human)0.00045045913
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyP353545743Homo sapiens (Human)0.00044817614
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00043311315
P30542Adenosine receptor A1G-protein coupled receptor 1 familyP30542134Homo sapiens (Human)0.00043173116
P04798Cytochrome P450 1A1 (CYPIA1) (EC 1.14.14.1) (Cytochrome P450 form 6) ...Cytochrome P450 familyP047981543Homo sapiens (Human)0.00042087317
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyP155381584Homo sapiens (Human)0.0004145918
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00041032419
P09874Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ...ARTD/PARP familyP09874142Homo sapiens (Human)0.00039791420
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00038260321
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00037485222
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyP278155141Homo sapiens (Human)0.00037287423
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)0.00037071724
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00035656225
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00033392526
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyP29274135Homo sapiens (Human)0.00032972827
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.00032673228
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1) (Hydroperoxy icosatetraenoate dehydratase) (EC ...Cytochrome P450 familyQ166781545Homo sapiens (Human)0.00032370129
P14555Phospholipase A2, membrane associated (EC 3.1.1.4) (GIIC sPLA2) (Group IIA ...Phospholipase A2 familyP145555320Homo sapiens (Human)0.00032026130
O76074cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)Cyclic nucleotide phosphodiesterase familyO760748654Homo sapiens (Human)0.00030125931
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP213974128Homo sapiens (Human)0.00029398532
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyP06276590Homo sapiens (Human)0.00029100833
P47712Cytosolic phospholipase A2 (cPLA2) (Phospholipase A2 group IVA) [Includes: Phospholipase ...P477125321Homo sapiens (Human)0.00029015334
O60911Cathepsin L2 (EC 3.4.22.43) (Cathepsin U) (Cathepsin V)Peptidase C1 familyO609111515Homo sapiens (Human)0.00028841835
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyP2230343Homo sapiens (Human)0.00028584936
Q9UNQ0Broad substrate specificity ATP-binding cassette transporter ABCG2 (EC 7.6.2.2) (ATP-binding ...ABC transporter superfamily, ABCG family, Eye pigment precursor importer (TC ...Q9UNQ09429Homo sapiens (Human)0.00028474337
Q02880DNA topoisomerase 2-beta (EC 5.6.2.2) (DNA topoisomerase II, beta isozyme)Type II topoisomerase familyQ028807155Homo sapiens (Human)0.00028391738
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)0.00027496339
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)P106364137Homo sapiens (Human)0.00027194240
Q12908Ileal sodium/bile acid cotransporter (Apical sodium-dependent bile acid transporter) (ASBT) ...Bile acid:sodium symporter (BASS) (TC 2.A.28) familyQ129086555Homo sapiens (Human)0.00026968141
P04637Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ...P53 familyP046377157Homo sapiens (Human)0.00026799242
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00026496243
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)0.00026216344
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00026113645
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyP415942915Homo sapiens (Human)0.00025956946
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyP089083350Homo sapiens (Human)0.0002471547
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyP003741719Homo sapiens (Human)0.00024610548
Q9HC97G-protein coupled receptor 35 (Kynurenic acid receptor) (KYNA receptor)G-protein coupled receptor 1 familyQ9HC972859Homo sapiens (Human)0.00024538249
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00024172150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
197672025-12-16
15:07:34		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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