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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Probing the chemical–biological relationship space with the Drug Target Explorer

Fig. 5

Exploration of similar molecules in biological datasets. a A search for ABT-737 identifies similarly-acting BCL family inhibitors in the CCLE dataset, including ABT-199, navitoclax, and combinations of navitoclax with other drugs. b A search for 2′-deoxycytidine identifies the most structurally similar molecule in the CCLE dataset (cytarabine HCl) and identifies several molecules with highly and significantly correlated drug responses, including clofarabine, gemcitabine, and decitabine

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