CYTOCAST DIGITAL TWIN Platform™

for Predictive Drug Safety

Predict risk. Understand mechanisms. Advance the best.

AI- and simulation-powered prediction of clinically relevant side effects - mechanistic, interpretable, and early in discovery.

Modeling drug-induced biological perturbation across the human proteome to predict clinically observed side effects.

Where Cytocast fits in drug development

One platform. Three products. A continuous safety layer from early elimination to IND-ready nomination. Cytocast informs critical safety decisions across the pipeline.

Cytocast Screener™

Decision:
Which compounds should be eliminated early?
Stage:
Hit-to-lead
Output:
High-throughput safety triage with early side-effect risk signals

Cytocast Optimizer™

Decision:
Which candidate has the best safety profile?
Stage:
Lead optimization
Output:
Comparative, mechanistic safety ranking across candidates

Cytocast Nominator™

Decision:
Which candidate should advance toward IND?
Stage:
Preclinical / IND-enabling
Output:
Decision-grade safety profile with clinical and mechanistic insight
De-risk early Prioritize mechanistically Decide with confidence

Mechanistic safety prediction with interpretable biology

Cytocast links compound structure to clinical side effects through a mechanistic chain - from predicted target interactions to complex and pathway perturbations.

Compound

Targets & Off-targets

Perturbed Complexes & Pathways

Clinical Side Effects

Unlike black-box models, predictions are traceable, interpretable, and actionable.

Complements in vitro and in vivo safety assays by predicting clinically relevant side effects before experimental validation.

Systems-level simulation

Whole-cell, multi-tissue modeling

Mechanistic interpretability

Off-targets, pathways, and effects linked

Clinically grounded outputs

Real-world side effects, not proxies

Grounded in peer-reviewed research (Drug Discovery Today) Read publication

Output & Value

Safety-related attrition remains a key driver of costly late-stage failure. Cytocast shifts safety assessment upstream, enabling decisions when programs can still be stopped, redesigned, or deprioritized at materially lower cost.

By moving safety earlier in the pipeline, Cytocast helps teams:

  • Eliminate unsafe compounds before synthesis or animal studies
  • Reduce candidate failure in IND-enabling toxicology
  • Shift safety assessment upstream by months to over a year

Earlier insight. Better outcomes.

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Clinically interpretable outputs designed to support real R&D decisions, not just data generation.

Decision-Enabling Outputs

Risk-ranked side-effect profiles

Clinically grounded safety risks prioritized for candidate selection and portfolio decisions.

Mechanistic explanation of safety liabilities

Predicted target interactions linked to downstream biological effects across tissues.

System-level perturbation insights

Traceable propagation through pathways, complexes, and tissues to explain emerging risk.

Confidence-tiered predictions

Predicted side effects stratified into confidence tiers to prioritize the strongest signals.

Validation & Trust

Performance grounded in real clinical endpoints and mechanistic interpretability.

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  • 1000+ clinically observed side effects
  • ~0.70 median balanced accuracy
  • 7,700+ proteins modeled across 29 tissues
  • Outperforms established models in binding affinity and off-target prediction

See Cytocast in action

Explore how mechanistic safety insights are generated from compound to clinical outcome.

Explore Demo
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A valuable tool to speed up development of new drugs.

COO / Project Lead Large Biotech Company

Early identification of side-effects is a showstopper in the discovery path.

Vice President Top 100 Drug Company

Cytocast is quite unique in this field of medical research and development.

Professor Medical School Research Group

Bring predictive drug safety into your pipeline

Evaluate for your pipeline Download Product Overview