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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
OC1=CC=C2C(OC=C(C(C=C3)=CC=C3O)C2=O)=C1[C@@H]([C@@H]([C@H]4O)O)O[C@@H]([C@H]4O)CO

Prepared SMILES:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O

hsa04610Complement and coagulation cascades0.0006249981
hsa04510Focal adhesion0.0005319832
hsa03320PPAR signaling pathway0.0004780983
hsa04915Estrogen signaling pathway0.0004570824
hsa04151PI3K-Akt signaling pathway0.0004561185
hsa00100Steroid biosynthesis0.000455066
hsa04974Protein digestion and absorption0.0004529337
hsa04978Mineral absorption0.0004316498
hsa04640Hematopoietic cell lineage0.0004217539
hsa04612Antigen processing and presentation0.00037762210
hsa04216Ferroptosis0.0003696211
hsa04657IL-17 signaling pathway0.00032369712
hsa04115p53 signaling pathway0.00031888313
hsa04924Renin secretion0.0003055614
hsa04010MAPK signaling pathway0.00029636715
hsa04066HIF-1 signaling pathway0.00027203916
hsa04062Chemokine signaling pathway0.00027168117
hsa04964Proximal tubule bicarbonate reclamation0.00026740418
hsa04015Rap1 signaling pathway0.00026426419
hsa04670Leukocyte transendothelial migration0.00026304320
hsa04218Cellular senescence0.00025927321
hsa04068FoxO signaling pathway0.00025740722
hsa04923Regulation of lipolysis in adipocytes0.00025639423
hsa04668TNF signaling pathway0.00025615724
hsa04520Adherens junction0.00025180625
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024948626
hsa04960Aldosterone-regulated sodium reabsorption0.0002487727
hsa04918Thyroid hormone synthesis0.00024613628
hsa04972Pancreatic secretion0.0002374329
hsa04310Wnt signaling pathway0.00023384530
hsa00380Tryptophan metabolism0.0002317831
hsa00980Metabolism of xenobiotics by cytochrome P4500.00023125732
hsa00480Glutathione metabolism0.00023084833
hsa00910Nitrogen metabolism0.0002296334
hsa00250Alanine, aspartate and glutamate metabolism0.000228835
hsa04970Salivary secretion0.00022409336
hsa04979Cholesterol metabolism0.00022294537
hsa04210Apoptosis0.00022139838
hsa00010Glycolysis / Gluconeogenesis0.00022110139
hsa04926Relaxin signaling pathway0.00021910840
hsa04350TGF-beta signaling pathway0.000218541
hsa04971Gastric acid secretion0.00021450542
hsa04913Ovarian steroidogenesis0.00021368543
hsa00340Histidine metabolism0.00020995544
hsa04540Gap junction0.00020845445
hsa04110Cell cycle0.00020663146
hsa04614Renin-angiotensin system0.00020395447
hsa00051Fructose and mannose metabolism0.00020288548
hsa00350Tyrosine metabolism0.00020250149
hsa04550Signaling pathways regulating pluripotency of stem cells0.0001935150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
229322026-06-03
21:54:12
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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