| Summary: | Drug repositioning has been proposed to develop drugs for diseases. However, the similarity in a single aspect may not be sufficient to reveal hidden information. Therefore, we established protein–protein similarity vectors (PPSVs) based on potential similarities in various types of biological information associated with proteins, including their network topology, proteomic data, functional analysis, and druggable property. Based on the proposed PPSVs, a separate drug–disease matrix was constructed for individual to prevent characteristics from being obscured between diseases. The classification technique was employed for prediction. The results showed that more than half of the tested disease models exhibited high performance, with overall F1 scores of more than 80%. Furthermore, comparing all diseases using traditional methods in one run, we obtained an (area under the curve) AUC of 98.9%. All candidate drugs were then tested in clinical trials (<i>p</i>-value < 2.2 × 10<sup>−16</sup>) and were known drugs based on their functions (<i>p</i>-value < 0.05). An analysis revealed that, in the functional aspect, the confidence value of an interaction in the protein–protein interaction network and the functional pathway score were the best descriptors for prediction. Based on the learning processes of PPSVs with an isolated disease, the classifier exhibited high performance in predicting and identifying new potential drugs for that disease.
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