Fig. 1

Schematic illustration of our work. A Correlating compound-induced transcriptomic signatures with the known target(s) of the compound. In the figure, + 1 corresponds to up-regulation of a transcript or the activation of a protein by a compound, − 1 corresponds to down-regulation of a transcript or the inhibition of a protein by a compound, and 0 corresponds to no change in the transcript or no binding. B Correlating compound-induced transcriptomic signatures with downstream pathway information of the target(s) of the compound. C Assessing whether target vector similarity is correlated with transcriptomic response similarity. After the transcriptomic and target data is collected from ChemPert, Jaccard similarity is calculated for every pair of target vectors and every pair of transcriptomic vectors. To discard the inherent variability across cell lines, we filtered out compound pairs that were not tested in the same cell line. (1) Next, for each pair of compounds, the Jaccard similarity of their target vectors and the Jaccard similarity for their transcriptomic vectors becomes an x, y coordinate pair (2). Once all of the x,y pairs have been found, the Pearson correlation for all of these pairs is calculated (3)