Drug-Protein Interaction Prediction by Fusion of Attention and Graph Neural Network

The identification of drug-protein interactions (DTIs) is a critical step in drug development and repositioning. However, detecting these interactions using scientific methods presents a formidable challenge. Existing models often struggle to extract relevant information from drug-protein sequences, and they fail to consider pre-existing interactions between pairs. Here, we introduce a deep learning model, DPAG, based on attention mechanisms and graph neural networks, which overcomes these limitations. DPAG leverages information from both the drug and protein sequences, as well as the association between drug-protein pairs, to predict DTIs. We conducted multiple experiments to evaluate the performance of the model in benchmark datasets, and the results showed that DPAG achieved excellent performance in terms of AUC, AUPR, precision, and recall. Our findings suggest that DPAG holds significant potential as a promising tool for predicting DTIs in drug development and repositioning. Code is available at https://github.com/veresse/DPAG.