Chemical informatics and target identification in a zebrafish phenotypic screen
C Laggner, D Kokel, V Setola, A Tolia, H Lin… - Nature chemical …, 2012 - nature.com
Nature chemical biology, 2012•nature.com
Target identification is a core challenge in chemical genetics. Here we use chemical
similarity to computationally predict the targets of 586 compounds that were active in a
zebrafish behavioral assay. Among 20 predictions tested, 11 compounds had activities
ranging from 1 nM to 10,000 nM on the predicted targets. The roles of two of these targets
were tested in the original zebrafish phenotype. Prediction of targets from chemotype is
rapid and may be generally applicable.
similarity to computationally predict the targets of 586 compounds that were active in a
zebrafish behavioral assay. Among 20 predictions tested, 11 compounds had activities
ranging from 1 nM to 10,000 nM on the predicted targets. The roles of two of these targets
were tested in the original zebrafish phenotype. Prediction of targets from chemotype is
rapid and may be generally applicable.
Abstract
Target identification is a core challenge in chemical genetics. Here we use chemical similarity to computationally predict the targets of 586 compounds that were active in a zebrafish behavioral assay. Among 20 predictions tested, 11 compounds had activities ranging from 1 nM to 10,000 nM on the predicted targets. The roles of two of these targets were tested in the original zebrafish phenotype. Prediction of targets from chemotype is rapid and may be generally applicable.
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