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Fig. 1 | BMC Bioinformatics

Fig. 1

From: Drug repositioning for enzyme modulator based on human metabolite-likeness

Fig. 1

Heat map of 2D structural similarities between the FDA-approved drugs and human intermediary metabolites. The Tanimoto similarity matrix between the 1,861 drugs and 1,110 metabolites encoded by the MACCS key fingerprints. Red boxes with the A, B, and C labels indicate the highlighted clusters: > 50 drugs, > 100 metabolites, Tc  ≥ 0.7 (up to 30%)

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