Supplements

Exploring the Relationship Between Drug Side-Effects and Therapeutic Indications

Datasets:

      Chemical data source: Drug and PubChem chemical substructures relationships

Download

It includes 132,092 associations between 1103 drugs and 881 chemical substructures.

Generated from fingerprints of drugbank1.

      Protein data source: Drug and UniProt target proteins relationships

Download

It includes 3,152 associations between 1007 drugs and 775 target proteins.

Generated from targets of drugbank1.

      Side-effect data source: Drug and SIDER side-effect keywords relationships

Download

It includes 61,102 associations between 888 drugs and 1385 side-effect terms.

Generated from SIDER2.

      Disease-indication data source: Drug and therapeutic indication relationships

Download

It includes 3,250 treatment relationships between 799 drugs and 719 diseases.

Generated from Li and Lu3.

Results:

      Highly correlated disease-side-effect associations

Download

It includes 6,706 highly correlated disease-side-effect associations between 719 disease and 1385 side-effects

Visualization Tool:

      Online visualization tool (beta version)

Link

      Description

Dydruma: A Dynamic Drug Map for Exploring the Associations Among Drug Therapeutic Indications and Side-Effects [pdf]

Fei Wang, Ping Zhang, Nan Cao, Jianying Hu, Robert Sorrentino

AMIA Workshop on Visual Analytics in Healthcare (VAHC), 2013

 

References:

1.    Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M. DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008;36(Database Issue):D901-D906.

2.    Kuhn M, Campillos M, Letunic I, Jensen LJ, Bork P. A side effect resource to capture phenotypic effects of drugs. Molecular Systems Biology 2010;6:343.

3.    Li J, Lu Z. A New Method for Computational Drug Repositioning Using Drug Pairwise Similarity. In Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine 2012.