TIP

The Target Informatics Platform (TIP), developed by Eidogen-Sertanty, is a structural informatics system and knowledgebase designed to enable drug discovery researchers to interrogate the druggable genome from a structural perspective. TIP bridges the knowledge gap between bioinformatics and cheminformatics by integrating structural data management technology with target-to-lead calculation and analysis capabilities, supporting all stages of the drug discovery pipeline.

TIP is intended for chemists and drug discovery teams who need to work with experimental protein structure information at scale. By expanding and organizing structural data, TIP transforms structure-based drug discovery from a low-throughput, data-scarce discipline into a higher-throughput, data-rich science, providing information that complements existing bio- and cheminformatics platforms.

Lead Discovery and Optimization

• Identifies potential leads by correlating newly annotated binding sites with sites that have known ligands.
• Supports drug selectivity improvement through comparative binding site analysis and visualization tools.
• Surveys target-ligand interactions across entire drug target families, drawing on structures with docked or co-crystallized ligands.

Opportunity Discovery for Validated Targets and Compounds

• Discovers and evaluates novel binding sites in previously validated drug targets.
• Supports lead hopping and target hopping strategies using pre-calculated similarities at the binding site, target-ligand interaction fingerprint, or ligand levels.

Target Portfolio Quality and Prioritization

• Provides druggability and selectivity information to support target selection and prioritization decisions.
• Assesses target druggability based on detailed annotation of available small molecule binding sites and gene family-wide similarity analysis.
• Centralizes management of structure, binding site annotation, selectivity, and co-crystallized and docked ligand interaction data across all project team members.

Target Prioritization Applications

• Target druggability assessment, including binding site property analysis and binding site selectivity analysis.
• SNP structural mapping and analysis.
• Drug resistance mutation analysis.
• Drug target clustering.
• Animal model suitability analysis.
• Broad spectrum anti-infective target analysis.

Lead Discovery Applications

• Novel lead fragment and scaffold discovery.
• Binding site property analysis and HTS library selection.
• Structure-based library design.
• Virtual library screening (VLS) binding mode analysis.

Lead Optimization Applications

• Structure-based ligand affinity optimization.
• Structure-based selectivity optimization.
• Structure-based broad spectrum anti-infective optimization.
• Structure-based co-inhibitor affinity optimization.
• Off-target discovery and analysis.
• Off-target assay panel design.

Opportunity Discovery Applications

• Novel drug rescue opportunities arising from drug-induced mutations, poor selectivity within a target family, or off-target interactions.
• Novel drug redesign opportunities.
• Novel drug binding site opportunities.
• Novel co-inhibition opportunities.
• Novel anti-infective opportunities.