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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
OC1=CC=C(C(O[C@H]2[C@@]3(C)[C@](O)(CC[C@]3(C(C)=O)O)[C@@]4(O)[C@]([C@](CC[C@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7[C@H](O)C(OC)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)C8)(C)C8=CC4)([H])C2)=O)C=C1

Prepared SMILES:
CO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3(C(=CC[C@@]4([C@@H]3C[C@@H](OC(=O)c3ccc(cc3)O)[C@]3([C@]4(O)CC[C@@]3(O)C(=O)C)C)O)C2)C)O[C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H](C([C@H]1O)OC)O)C

hsa04610Complement and coagulation cascades0.0006238631
hsa04510Focal adhesion0.0005280752
hsa03320PPAR signaling pathway0.000479013
hsa00100Steroid biosynthesis0.0004613074
hsa04915Estrogen signaling pathway0.0004552945
hsa04151PI3K-Akt signaling pathway0.0004523256
hsa04974Protein digestion and absorption0.0004482337
hsa04978Mineral absorption0.000439738
hsa04640Hematopoietic cell lineage0.0004217079
hsa04612Antigen processing and presentation0.00038309510
hsa04216Ferroptosis0.00036630311
hsa04657IL-17 signaling pathway0.00032268912
hsa04115p53 signaling pathway0.00031571113
hsa04924Renin secretion0.00030151314
hsa04010MAPK signaling pathway0.00029320615
hsa04062Chemokine signaling pathway0.00026703416
hsa04066HIF-1 signaling pathway0.00026611617
hsa04964Proximal tubule bicarbonate reclamation0.00026338418
hsa04218Cellular senescence0.00026023319
hsa04068FoxO signaling pathway0.00025878620
hsa04015Rap1 signaling pathway0.0002584321
hsa04520Adherens junction0.00025838322
hsa04670Leukocyte transendothelial migration0.0002535323
hsa00910Nitrogen metabolism0.0002526224
hsa04668TNF signaling pathway0.00025121825
hsa04923Regulation of lipolysis in adipocytes0.00024928726
hsa04960Aldosterone-regulated sodium reabsorption0.00024821927
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024787728
hsa00250Alanine, aspartate and glutamate metabolism0.00024193329
hsa04918Thyroid hormone synthesis0.00024170930
hsa04972Pancreatic secretion0.00023378131
hsa00980Metabolism of xenobiotics by cytochrome P4500.0002318732
hsa04913Ovarian steroidogenesis0.00022759733
hsa00480Glutathione metabolism0.00022752334
hsa04970Salivary secretion0.00022665335
hsa04310Wnt signaling pathway0.00022638436
hsa00380Tryptophan metabolism0.00022552737
hsa04210Apoptosis0.0002201438
hsa04926Relaxin signaling pathway0.00021885739
hsa00010Glycolysis / Gluconeogenesis0.00021875140
hsa04350TGF-beta signaling pathway0.00021868941
hsa00340Histidine metabolism0.00021161242
hsa04971Gastric acid secretion0.00021062543
hsa04979Cholesterol metabolism0.00020676644
hsa04614Renin-angiotensin system0.00020531845
hsa04540Gap junction0.00020479546
hsa04110Cell cycle0.00020402947
hsa00051Fructose and mannose metabolism0.00020344348
hsa00350Tyrosine metabolism0.00020340849
hsa00900Terpenoid backbone biosynthesis0.0001973250

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
229312026-06-03
21:43:15
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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