1. Learning a Patent-Informed Biomedical Knowledge Graph Reveals Technological Potential of Drug Repositioning Candidates
- Author
-
Jegal, Yongseung, Choi, Jaewoong, Lee, Jiho, Park, Ki-Su, Lee, Seyoung, and Yoon, Janghyeok
- Subjects
Computer Science - Artificial Intelligence ,Computer Science - Computation and Language ,Computer Science - Machine Learning ,Quantitative Biology - Quantitative Methods - Abstract
Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug repositioning candidates has often been overlooked. This study presents a novel protocol to comprehensively analyse various sources such as pharmaceutical patents and biomedical databases, and identify drug repositioning candidates with both technological potential and scientific evidence. To this end, first, we constructed a scientific biomedical knowledge graph (s-BKG) comprising relationships between drugs, diseases, and genes derived from biomedical databases. Our protocol involves identifying drugs that exhibit limited association with the target disease but are closely located in the s-BKG, as potential drug candidates. We constructed a patent-informed biomedical knowledge graph (p-BKG) by adding pharmaceutical patent information. Finally, we developed a graph embedding protocol to ascertain the structure of the p-BKG, thereby calculating the relevance scores of those candidates with target disease-related patents to evaluate their technological potential. Our case study on Alzheimer's disease demonstrates its efficacy and feasibility, while the quantitative outcomes and systematic methods are expected to bridge the gap between computational discoveries and successful market applications in drug repositioning research., Comment: We are sorry to withdraw this paper. We found some critical errors in the introduction and results sections. Specifically, we found that the first author have wrongly inserted citations on background works and he made mistakes in the graph embedding methods and relevant results are wrongly calculated. In this regard, we tried to revise this paper and withdraw the current version. Thank you
- Published
- 2023