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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

Prepared SMILES:
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O

hsa04610Complement and coagulation cascades0.0006278411
hsa04510Focal adhesion0.0005314022
hsa03320PPAR signaling pathway0.0004850933
hsa04915Estrogen signaling pathway0.0004563064
hsa00100Steroid biosynthesis0.0004506475
hsa04151PI3K-Akt signaling pathway0.0004499486
hsa04974Protein digestion and absorption0.0004454987
hsa04640Hematopoietic cell lineage0.0004239918
hsa04978Mineral absorption0.0004223379
hsa04612Antigen processing and presentation0.00037355710
hsa04216Ferroptosis0.00035928811
hsa04657IL-17 signaling pathway0.00031671512
hsa04115p53 signaling pathway0.00031632213
hsa04924Renin secretion0.00030260814
hsa04010MAPK signaling pathway0.00029049715
hsa04015Rap1 signaling pathway0.00026514216
hsa04066HIF-1 signaling pathway0.00026388117
hsa04670Leukocyte transendothelial migration0.00026273718
hsa04062Chemokine signaling pathway0.00026215819
hsa04964Proximal tubule bicarbonate reclamation0.00025912220
hsa04218Cellular senescence0.0002570521
hsa04068FoxO signaling pathway0.00025257522
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00025123223
hsa04668TNF signaling pathway0.00024829524
hsa04918Thyroid hormone synthesis0.00024519425
hsa04923Regulation of lipolysis in adipocytes0.00024160226
hsa04520Adherens junction0.00023934527
hsa04960Aldosterone-regulated sodium reabsorption0.00023891928
hsa00980Metabolism of xenobiotics by cytochrome P4500.00023228629
hsa04972Pancreatic secretion0.00023179930
hsa00380Tryptophan metabolism0.00023096931
hsa00250Alanine, aspartate and glutamate metabolism0.00023060332
hsa00010Glycolysis / Gluconeogenesis0.00022599233
hsa00480Glutathione metabolism0.00022567734
hsa00910Nitrogen metabolism0.00022351335
hsa04310Wnt signaling pathway0.00021952436
hsa04970Salivary secretion0.00021918437
hsa04979Cholesterol metabolism0.0002179838
hsa04350TGF-beta signaling pathway0.00021551739
hsa04210Apoptosis0.00021501340
hsa00051Fructose and mannose metabolism0.00021479341
hsa04971Gastric acid secretion0.00021455542
hsa04913Ovarian steroidogenesis0.00021123143
hsa04926Relaxin signaling pathway0.00020949644
hsa04110Cell cycle0.00020708745
hsa00340Histidine metabolism0.00020541846
hsa04540Gap junction0.00020320147
hsa04550Signaling pathways regulating pluripotency of stem cells0.00019191248
hsa00350Tyrosine metabolism0.00019121349
hsa00982Drug metabolism - cytochrome P4500.00019089250

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
233982026-06-29
18:54:59
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCS Downloadα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50Download

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