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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C12(C[C@@H]3C[C@H](O1)C/C=C(/[C@@H](O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC)OC)[C@H](/C=C/C=C\1/[C@]4([C@H](C(=O)O3)C=C([C@H]([C@H]4COC1)O)C)O)C)\C)O[C@@H]([C@H](C=C2)C)[C@H](CC)C

Prepared SMILES:
CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\COC[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)OC2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C

Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0008930921
Q14573Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) (IP3R ...InsP3 receptor familyQ145733710Homo sapiens (Human)0.0006732072
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0006105183
Q15393Splicing factor 3B subunit 3 (Pre-mRNA-splicing factor SF3b 130 kDa ...RSE1 familyQ1539323450Homo sapiens (Human)0.0005909344
P12872Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]Motilin familyP128724295Homo sapiens (Human)0.0004444125
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.0004248656
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.0003767237
O95342Bile salt export pump (EC 7.6.2.-) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...O953428647Homo sapiens (Human)0.0003671688
Q06710Paired box protein Pax-8Q067107849Homo sapiens (Human)0.0003590059
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00035327710
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00034972811
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyP040353156Homo sapiens (Human)0.00030892212
P42345Serine/threonine-protein kinase mTOR (EC 2.7.11.1) (FK506-binding protein 12-rapamycin complex-associated protein ...PI3/PI4-kinase familyP423452475Homo sapiens (Human)0.00030428713
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00029853914
Q13451Peptidyl-prolyl cis-trans isomerase FKBP5 (PPIase FKBP5) (EC 5.2.1.8) (51 kDa ...Q134512289Homo sapiens (Human)0.00029683215
P50579Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation ...Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamilyP5057910988Homo sapiens (Human)0.0002921216
Q14642Inositol polyphosphate-5-phosphatase A (EC 3.1.3.56) (43 kDa inositol polyphosphate 5-phosphatase) ...Inositol 1,4,5-trisphosphate 5-phosphatase type I familyQ146423632Homo sapiens (Human)0.00029171117
P36873Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (PP-1G) (EC 3.1.3.16) (Protein phosphatase ...PPP phosphatase family, PP-1 subfamilyP368735501Homo sapiens (Human)0.00028226118
Q9NPD5Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familyQ9NPD528234Homo sapiens (Human)0.00027699619
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase) ...Phytoene/squalene synthase familyP372682222Homo sapiens (Human)0.00027638620
P68106Peptidyl-prolyl cis-trans isomerase FKBP1B (PPIase FKBP1B) (EC 5.2.1.8) (12.6 kDa ...FKBP-type PPIase family, FKBP1 subfamilyP681062281Homo sapiens (Human)0.00027324821
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00027272922
P06730Eukaryotic translation initiation factor 4E (eIF-4E) (eIF4E) (eIF-4F 25 kDa ...Eukaryotic initiation factor 4E familyP067301977Homo sapiens (Human)0.00026476723
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)0.00026384724
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.0002636725
Q15172Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform (PP2A ...Phosphatase 2A regulatory subunit B56 familyQ151725525Homo sapiens (Human)0.0002582226
Q58FG1Putative heat shock protein HSP 90-alpha A4 (Heat shock 90 ...Heat shock protein 90 familyQ58FG1N/AHomo sapiens (Human)0.00025364627
P2884511-beta-hydroxysteroid dehydrogenase 1 (11-DH) (11-beta-HSD1) (EC 1.1.1.146) (7-oxosteroid reductase) (EC ...Short-chain dehydrogenases/reductases (SDR) familyP288453290Homo sapiens (Human)0.00025290728
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyP352284843Homo sapiens (Human)0.00024784429
P67775Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform (PP2A-alpha) (EC 3.1.3.16) ...PPP phosphatase family, PP-1 subfamilyP677755515Homo sapiens (Human)0.00024467830
O43193Motilin receptor (G-protein coupled receptor 38)G-protein coupled receptor 1 familyO431932862Homo sapiens (Human)0.00024382331
P04637Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ...P53 familyP046377157Homo sapiens (Human)0.0002436132
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyP082383326Homo sapiens (Human)0.00024279233
P07900Heat shock protein HSP 90-alpha (EC 3.6.4.10) (Heat shock 86 ...Heat shock protein 90 familyP079003320Homo sapiens (Human)0.0002352534
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00023257235
P11137Microtubule-associated protein 2 (MAP-2)P111374133Homo sapiens (Human)0.00023245636
Q99700Ataxin-2 (Spinocerebellar ataxia type 2 protein) (Trinucleotide repeat-containing gene 13 ...Ataxin-2 familyQ997006311Homo sapiens (Human)0.00022882337
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyP294754842Homo sapiens (Human)0.00022710738
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.00022708939
P62942Peptidyl-prolyl cis-trans isomerase FKBP1A (PPIase FKBP1A) (EC 5.2.1.8) (12 kDa ...FKBP-type PPIase family, FKBP1 subfamilyP629422280Homo sapiens (Human)0.00022560340
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)0.0002231741
P29474Nitric oxide synthase, endothelial (EC 1.14.13.39) (Constitutive NOS) (cNOS) (EC-NOS) ...NOS familyP294744846Homo sapiens (Human)0.0002218442
P01215Glycoprotein hormones alpha chain (Anterior pituitary glycoprotein hormones common subunit ...Glycoprotein hormones subunit alpha familyP012151081Homo sapiens (Human)0.0002135843
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyP785275591Homo sapiens (Human)0.00021249944
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00020998945
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00020893246
P41252Isoleucine--tRNA ligase, cytoplasmic (EC 6.1.1.5) (Isoleucyl-tRNA synthetase) (IRS) (IleRS)Class-I aminoacyl-tRNA synthetase familyP412523376Homo sapiens (Human)0.00020787847
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyQ8TDS5165140Homo sapiens (Human)0.00020576448
P37840Alpha-synuclein (Non-A beta component of AD amyloid) (Non-A4 component of ...Synuclein familyP378406622Homo sapiens (Human)0.00019987149
Q53EL6Programmed cell death protein 4 (Neoplastic transformation inhibitor protein) (Nuclear ...PDCD4 familyQ53EL627250Homo sapiens (Human)0.00019179550

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192432025-11-17
20:46:19		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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