Collaborative Chemistry

**UPDATE As of 21st Jan 2016 please note the actual structure of BIA 10-2474 changed to this.

I thought it perhaps worth trying other computational approaches with BIA 10-2474. First up is the similarity ensemble analysis (SEA)  from the Shoichet lab. This also makes use of ChEMBL (version 16 data).

This seems to agree to some extent with the previous analysis with the Bayesian models from Alex Clark and the Polypharma app small subset, in that Ephrin type B receptor 4 is ranked high as well as Cytochrome P450 17A1 followed by an array of kinases. Notice that in SEA that it provides an E-value. There may be some differences in data between version 16 and 20 which could account for differences.