QuartataWeb

QuartataWeb provides integrated chemogenomics and polypharmacology analysis by aggregating experimentally verified and computationally predicted interactions from DrugBank and STITCH to map drugs and chemicals to human protein targets and functional annotations.

Key Features:

• Extensive Interaction Data: Contains 5,494 drugs interacting with 2,807 human proteins from DrugBank and 315,514 chemicals interacting with 9,457 human proteins from STITCH.
• Interaction Evidence Types: Integrates both experimentally verified and computationally predicted chemical–protein interactions.
• Pathway and Functional Annotation: Links protein targets to KEGG pathways and Gene Ontology (GO) annotations for functional context.
• Multi-Drug and Multi-Target Analysis: Supports analyses that consider multiple chemicals, drug combinations, or multiple protein targets simultaneously.
• Polypharmacological Network Analysis: Enables mapping and exploration of polypharmacological networks to assess cross-target and cross-pathway effects.

Scientific Applications:

• Drug discovery: Prioritizes drug–target relationships and target pathways for candidate identification and repositioning studies.
• Chemogenomics: Associates large chemical sets with human protein targets to support chemogenomic profiling and hypothesis generation.
• Systems biology: Integrates interaction and annotation data to study pathway-level and network-level effects of chemicals and drugs.
• Multi-target therapeutic design: Informs design and assessment of multi-target or combination therapies by revealing shared and distinct target-pathway connections.

Methodology:

Aggregates experimentally verified and computationally predicted interactions from DrugBank and STITCH and integrates KEGG pathway and Gene Ontology (GO) annotations to link chemical–protein interactions to biological pathways and functions.