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3 Swansea University, College of Engineering, Swansea, United Kingdom

Specifically, we used PharmMapper [767] that uses a reverse pharmacophore mapping approach and requires a 3D structure (mol2 or sdf format) for ligand input, SwissTargetPrediction [768] that examines 2D and 3D molecular similarity, and SuperPred 3.0 [769] that uses machine learning models for prediction

Furthermore, peripheral blood monocyte RNA sequencing in 12 healthy controls and 44 untreated MS patients revealed that the NLRP3 inflammasome of monocytes in primary progressive MS patients was overactivated [83]