drTarget applies machine learning models on ChEMBL DB to perform a virtual screening with 1.5M molecules, setting an activity score for molecules and proteins enhancing SMN2 expression.
>13k compounds have been considered as enhancers of SMN2 expression, and all their experimental records in ChEMBL database are analyzed and aggregated at different levels using interaction network graphs, thus enabling identification of potential protein targets and pathways as secondary mechanisms of induction.
Among these 13k molecules, 20 drugs are potential candidates for repurposing for spinal muscular atrophy.
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By Emw (Own work) [CC BY-SA 3.0 (https://creativecommons.org/licenses/by-sa/3.0) or GFDL (http://www.gnu.org/copyleft/fdl.html)], via Wikimedia Commons
