Base your decision making on a scientific report approved by experts
Pursue or abandon hypotheses based on well-founded recommendations
Give everyone access to the same key data at the beginning of a project
Save time reviewing, retrieving, and analyzing the relevant data
Start working right away on organized and formatted data
All relevant information about the target and the validation models are summarized in one report. The content emphasizes druggability, target assays, and tool compounds.
The report provides a list of actionable starting points that allow you to begin the target validation immediately: target assays, tool compounds, etc.
The potential of the drug discovery project is estimated through extended druggability analysis and market analysis.
The difficulty of the project is estimated by thorough analysis of the binding site, putative off-targets, and selectivity problems. Risks linked to natural variations and mutations are systematically checked.
Structural Target Assessment
All structural knowledge linked to the target is summarized in one report. The content covers public 3D structures and homology models, co-crystallized small molecules and protein partners, homolog structures, druggable pockets, and putative off-targets.
Save time preparing the data and get right to work! Pre-formatted structure files are delivered with the report; all target structures are superimposed on the druggable pocket (if existing) and all small molecules are gathered in a single table.
New information on small compounds and binding interactions can be discovered when exploring the structures of close target homologs and structurally similar pockets.
List of Known Binding Compounds
All small compounds known to bind to your target are gathered in one complete list. The content is based on structural databases, assay databases and text-mining of the literature.
Generation and Evaluation of New Ideas
New ideas for a lead compound are generated through search and analysis of compounds that bind to other structurally similar pockets. The potential of the compounds are then evaluated by docking them into the principal target.
Adverse Effect Elucidation
Identification of Putative Off-targets
Putative off-targets are identified through binding pocket similarity and ligand similarity.
Link to Adverse Drug Effects
Gene-disease association and pathway data are used to link the putative off-targets to the observed drug reactions.
Identification of New Targets
New targets are identified through binding pocket similarity and ligand similarity analysis. The potential targets are then evaluated by docking studies.
Potential Therapeutic Targets
The potential of each identified drug target is investigated through literature searches.
Compounds coming from the animal health or agricultural industries can be re-positioned toward a human target.