Understanding how compounds affect the disease biology of patients, and which potential side effects could be expected, is one of the core challenges in drug discovery. Transcriptomics (RNA-seq) allows us to measure these compound effects via an unbiased readout of gene expression changes. While „conventional“ analysis of RNA-seq data yields insights into individual compound effects and similarities, deeper connections between principles of compound structure and transcriptome effect elude us. Insights into this connection would help us support project teams with data-driven decision making on compounds. In this pilot, we are bringing together a cross-functional team of colleagues from LST, CMD, SyMOL and DS&AI to tackle this challenge and build a toolkit to enable understanding of how compound structure relates to complex gene expression patterns and to explore common themes amongst structures or shared off-target/general perturbation effects. This toolbox will become the starting point for other efforts aimed at leveraging multi-omics data in understanding compound mechanism of actions. Artwork created using Stable Diffusion.