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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)O

Prepared SMILES:
C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)O

hsa04610Complement and coagulation cascades0.0006124971
hsa04510Focal adhesion0.0005301742
hsa03320PPAR signaling pathway0.0004739723
hsa04915Estrogen signaling pathway0.0004476674
hsa04974Protein digestion and absorption0.0004452955
hsa04151PI3K-Akt signaling pathway0.000444326
hsa00100Steroid biosynthesis0.0004374247
hsa04978Mineral absorption0.0004248988
hsa04640Hematopoietic cell lineage0.0004187739
hsa04612Antigen processing and presentation0.000381210
hsa04216Ferroptosis0.00035221111
hsa04657IL-17 signaling pathway0.00031352712
hsa04115p53 signaling pathway0.00031047213
hsa04924Renin secretion0.00029863414
hsa04010MAPK signaling pathway0.00028299515
hsa04062Chemokine signaling pathway0.00026312716
hsa04670Leukocyte transendothelial migration0.00026247117
hsa04066HIF-1 signaling pathway0.00025949718
hsa04015Rap1 signaling pathway0.00025888719
hsa04964Proximal tubule bicarbonate reclamation0.00025482820
hsa04068FoxO signaling pathway0.00024699821
hsa04218Cellular senescence0.00024694622
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024382823
hsa04923Regulation of lipolysis in adipocytes0.00024167624
hsa04668TNF signaling pathway0.00023967625
hsa04960Aldosterone-regulated sodium reabsorption0.00023801826
hsa04520Adherens junction0.00023600627
hsa04918Thyroid hormone synthesis0.00023338328
hsa00010Glycolysis / Gluconeogenesis0.00023121929
hsa04972Pancreatic secretion0.00022982930
hsa00910Nitrogen metabolism0.00022758831
hsa00480Glutathione metabolism0.00022232
hsa00380Tryptophan metabolism0.00022145233
hsa00980Metabolism of xenobiotics by cytochrome P4500.00021969134
hsa04672Intestinal immune network for IgA production0.00021823735
hsa04971Gastric acid secretion0.00021730236
hsa04979Cholesterol metabolism0.00021587937
hsa00250Alanine, aspartate and glutamate metabolism0.0002144238
hsa04970Salivary secretion0.00021402739
hsa04210Apoptosis0.00021260740
hsa00340Histidine metabolism0.0002093941
hsa04350TGF-beta signaling pathway0.00020931642
hsa04913Ovarian steroidogenesis0.00020757243
hsa04926Relaxin signaling pathway0.00020461644
hsa00051Fructose and mannose metabolism0.00020169945
hsa04110Cell cycle0.00019976246
hsa04310Wnt signaling pathway0.00019636947
hsa04540Gap junction0.00019473248
hsa00900Terpenoid backbone biosynthesis0.00018732349
hsa04611Platelet activation0.00018562450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
247532026-08-27
17:19:26
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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