CANDI: a web server for predicting molecular targets and pathways of cannabis-based therapeutics

TL;DR

CANDI is a web tool that predicts molecular targets and pathways of cannabis compounds to help develop targeted cannabis-based therapies for diseases like pain and cancer.

Contribution

CANDI is a novel web server that predicts molecular targets and pathways of cannabis formulations using a deep learning model.

Findings

CANDI identified numerous molecular targets of cannabis compounds involved in pain, inflammation, and cancer pathways.

The tool enables researchers to predict targets and pathways for any cannabis formulation, aiding in targeted therapy development.

CANDI bridges traditional cannabis use with modern drug development through computational analysis.

Abstract

Cannabis sativa L. with a rich history of traditional medicinal use, has garnered significant attention in contemporary research for its potential therapeutic applications in various human diseases, including pain, inflammation, cancer, and osteoarthritis. However, the specific molecular targets and mechanisms underlying the synergistic effects of its diverse phytochemical constituents remain elusive. Understanding these mechanisms is crucial for developing targeted, effective cannabis-based therapies.

To investigate the molecular targets and pathways involved in the synergistic effects of cannabis compounds, we utilized DRIFT, a deep learning model that leverages attention-based neural networks to predict compound-target interactions. We considered both whole plant extracts and specific plant-based formulations. Predicted targets were then mapped to the Reactome pathway database to identify the biological processes affected. To facilitate the prediction of molecular targets and associated pathways for any user-specified cannabis formulation, we developed CANDI (Cannabis-derived compound Analysis and Network Discovery Interface), a web-based server. This platform offers a user-friendly interface for researchers and drug developers to explore the therapeutic potential of cannabis compounds.

Our analysis using DRIFT and CANDI successfully identified numerous molecular targets of cannabis compounds, many of which are involved in pathways relevant to pain, inflammation, cancer, and other diseases. The CANDI server enables researchers to predict the molecular targets and affected pathways for any specific cannabis formulation, providing valuable insights for developing targeted therapies.

By combining computational approaches with knowledge of traditional cannabis use, we have developed the CANDI server, a tool that allows us to harness the therapeutic potential of cannabis compounds for the effective treatment of various disorders. By bridging traditional pharmaceutical development with cannabis-based medicine, we propose a novel approach for botanical-based treatment modalities.

The online version contains supplementary material available at 10.1186/s42238-025-00268-w.

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