Over the years, Chemotargets has designed, and continues developing, an integrated technology platform involving a broad spectrum of cutting-edge computational methodologies to help our customers to speed up their drug discovery projects, making them more cost efficient. A white paper summarizing Chemotargets computational methodologies is available here:

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Our current services include:


Systems Pharmacology. In the context of new medical therapies development, systems approaches are essential for understanding the global behavior of drugs action:

Target profiling: In silico target profiling can be used to anticipate the pharmacological profile of a given hit.


Safety profiling: Drug side effects can be anticipated using our proprietary in silico Safety profiling.


Drug profiling: As an integral part of drug development, the drug-drug interaction potential risk of a new molecular entity can be anticipated.


Anatomical projection: Given a drug, the tissues/organs where its potential drug targets are specifically expressed, can be inferred.


Hit identification. Different computational methodologies can be used/coupled to carry out In silico chemical screening. Our commercial catalog contains almost 9 million unique compounds collected from different chemical suppliers.


De Novo design & Scaffold Hopping. Using our methodologies, new molecules can be computationally designed 1) to fulfill specific pharmacological requirements, 2) to gain access to a novel region of the bioactive chemical space and/or 3) to provide a stronger IP position expanding the chemical space around a given molecule.


Hit optimization. Our set of proprietary methodologies can be grouped to build up multiparametric goals to drive the hit optimization efforts in the desired direction: activity, selectivity, pharmacological profile, ADME profile, etc.


Drug repurposing. Our integrated technology platform can be used for drug repositioning purposes, providing an old drug with a full list of potential new therapeutic areas of application.


Compound selection. Our in silico screening and profiling capacity can be also used to select compounds from commercial catalogues to enrich your corporate screening collection with molecules that fill the gaps of accessible pharmacological profiles from your existing compounds.