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Abstract:
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The pharmaceutical industry is faced with steady decline in discovery efficiency due to the failure of drug candidates in late-stage development. This is partly due to safety issues or previously undiscovered side effects. Understanding protein target and off-target effects of bioactive compounds is a critical challenge in the field of drug discovery. These effects are of great importance as bioactive compounds that indicate a certain therapeutic effect could cause inadvertent phenotypic effects by binding to unexpected protein targets. Thus, influence the compound efficacy. The aim of the proposed analytic framework is to link between three different data sources in drug discovery experiments. For a given set of compounds, to link between the chemical structures, the biological activities and the transcriptomic profiles. Such analysis can help to construct transcriptomic biomarkers and to identify biological pathways that are related to a subset of compounds. Consequently, the analytical framework can enable better understanding of the efficacy and safety of the potential compounds.
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