AlphaTarget (formerly known as vTarget) is a tool that predicts the pharmacological targets of compounds based on the 3D conformation matching of ligand similarity. AlphaTarget provides a reference for the target determination of newly synthesized compounds or natural products. The system has built-in disease database, target database, drug database, and ligand database; and it can help users quickly search the compounds similar to the query molecules in the database based on ligand-based similarity methods include 2D topological similarity and 3D structure similarity methods. Through the target data of similar compounds, the potential targets were obtained by comprehensive analysis; and through the target analysis, the possible therapeutic effects of compounds were determined.
A variety of accurate prediction methods
A variety of accurate prediction methods are built in the system to comprehensively search the potential targets and related diseases.
Overall coverage of disease-target-drug information
The system has built-in disease database, target database, and drug database, with abundant data, multiple associations, and regular updates.
- The system is based on web development and supports multi-user online collaboration. Users can view job tasks at any time and anywhere through the browser.
- It can quickly find potential targets for newly synthesized compounds or natural products, saving manpower and material resources.
- The repurposing of old drugs has enabled existing clinical drugs to radiate new vitality in the treatment of diseases.
- By predicting drug targets, the potential targets of small molecular compounds with phenotypic activity were elucidated, which provided a reference for the further study of molecular mechanism.