Ono Pharma Foundation Symposium

Small-molecule profiling methods, such as cell painting gene expression analysis, can be very useful for uncovering mechanism of action for novel compounds and for identifying compound similarities. In this project, we aim to use such small-molecule profiling methods to develop signatures of bioactivity. Here, we have applied this approach to develop predictive signatures of drug candidates with in vivo toxicity, and of nuisance compounds that are often false-positives in high-throughput screening. In particular, we tested a set of ~400 thiol-reactive compounds in cell painting, and found that these compounds comprise an independent cluster by principal component analysis. We anticipate that this approach will provide an rapid and efficient route for uncovering complex phenotypes induced by small molecules.