arctigenin-4-O-(3''-O-acetyl-beta-D-glucoside) vs Itraconazole
Mechanistic comparison of arctigenin-4-O-(3''-O-acetyl-beta-D-glucoside) [Supplementary Concept] isolated from and Itraconazole based on molecular target overlap from BindingDB and ChEMBL binding affinity data.
5
Shared Targets
21%
Jaccard Similarity
18%
IDF-Weighted Similarity
Jaccard measures raw target overlap. IDF-weighted downweights promiscuous hub targets (e.g. CYP enzymes) that bind many compounds non-specifically.
Evidence Comparison
Target Overlap
arctigenin-4-O-(3''-O-acetyl-beta-D-glucoside) and Itraconazole share 5 molecular targets based on binding affinity data from BindingDB (Kd/IC50 ≤ 10 µM) and ChEMBL. A Jaccard index of 0.208 means 21% of the combined target set is bound by both compounds. The IDF-weighted score of 0.184 accounts for non-specific binding to metabolic enzymes.
Note: High target overlap does not imply identical mechanism or therapeutic equivalence. Binding affinity, tissue distribution, bioavailability, and downstream signaling differ significantly between compounds even when they bind the same protein.
Frequently Asked Questions
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