Chemotargets CLARITY® is an innovative data science solution that fully exploits the synergies between known experimental results and predicted insights to discover hidden knowledge, untap new competitive opportunities and improve R&D efficiencies.


CLARITY enables global profiling for a given molecule or set:

  • Quantitative binding and functional activity for mechanisms of action associated with therapeutic activities and safety liabilities (PHARMACOLOGY and SAFETY).
  • Predicted metabolites and their pharmacological profiles, and comparison with substrates (METABOLISM).

CLARITY ‘s engine uses:

  • An expertly curated training set of 2.6 million compounds data derived from patents, journals and public databases to ensure comprehensive coverage of the chemical space pharmacology, and covers related drug safety information available.
  • Multiple integrated state-of-the-art computational methods to ensure high level of confidence. 

- Predicted target affinities with 6 independent approaches  

- Predicted safety associations with 4 independent approaches 

- Consensus confidence scores provided for each predicted interaction

- Prediction of metabolites, using a manually curated training dataset of experimental biotransformations in xenobiotics, including both Phase I and II metabolic reactions, extracted from the literature

- Comparative pharmacology between substrate and metabolites

- Coverage of a broad range of target-actions essential for secondary pharmacology profiling and provides information on the adverse effects linked to these mechanisms of action

- Improved analytics and visualisation tools that allow direct access to known data, both internal (if integrated) and external, and fast generation of predicted data

- Advanced Interpretation tools



WHO is using it?

CLARITY  is used by scientists as a hypothesis generation tool to support drug design, lead optimization and prioritization of candidates by identifying therapeutically relevant structural-activity attributes and helping discern and eliminate precursors of undesired safety liabilities and off-target activity.

Chemists · Biologics · Pharmacologists · Medicinal Chemists · Toxicologists 

Computational scientists · Pharmacovigilance and Clinical Safety professionals

Regulatory scientists


HOW is it benefiting our customers?

CLARITYplatform offers a wide spectrum of options to support decision management in the drug discovery pipelines, from advanced analytics tools to state-of-the-art prediction engines. 

CLARITYcan be key in several scenarios of customers portafolio like:

  • Explore chemical space for computer-aided drug design 
  • Evaluate polypharmacological activity of compounds acting simultaneously on multiple disease-relevant targets
  • Elucidate the underlying mechanisms behind phenotypic assay results (target deconvolution)
  • Uncover the full mechanistic profile to anticipate potential therapeutic uses of chemical series before patent submission
  • Perform drug repositioning and new indication discovery projects
  • Identify new opportunities for therapeutic intervention by correlating recently described targets, pathways and related small molecules
  • Perform virtual high-throughput screening of compound libraries
  • Identify off-target mechanistic liabilities
  • Anticipate safety issues associated with metabolites
  • Anticipate safety liabilities (structural alerts)
  • Elucidate molecular initiating events (AOP)
  • Gain insights and guidance for experimental assay planning
  • Evaluate endpoints of critical importance to regulatory authorities

For examples of USE CASES and application of CLARITY platform, see the PUBLICATIONS site.


Open Architecture - Deep Integration Capabilities

CLARITYis available as a graphical user interface (GUI) through a web application that allows the user to execute the software and explore the corresponding results in an intuitive and interactive manner. 

The open architecture of CLARITY platform offers a fully interoperable environment that can be integrated with user infrastructure to exploit their internal data and  methods:  via command line (CLI)  or Web API capability.

Contact us at for further information, since technical details need to be defined to fit with user environment specific requirements.


Release history

  • October 2019, CLARITYv4.0 
  • November 2018, CLARITYv3.0 
  • June 2018, CLARITY v2.1
  • February 2018, CLARITY v2.0
  • September 2017, CLARITY v1.0