Understand
We read the target first: structure, pockets, and the mechanism a molecule has to work with.
Discovering the next generation of small-molecule therapeutics.
We combine AI-driven computational science with molecular biology to design and advance a proprietary portfolio of therapeutic candidates.
An integrated approach to discovery. Built to advance therapeutics.
Biology, molecular design, computational evidence and the wet lab only work when they inform each other. We run them as one iterative research process.
Our proprietary platform is the engine behind it: scientific reasoning, design and simulation in one place.
Every program runs this loop.
Design
We build and edit candidates in that pocket, keeping the reason for every change.
Evaluate
We dock, score properties and ADME, then keep the few worth making.
Learn
What the lab reports goes back into the series, so the next round starts further along.
Connected workflows. Traceable decisions.
Agentic workflows connect literature, structures, design and analysis. Scientists assess the evidence and decide what to test next.
What the work builds.
Therapeutic IP
Proprietary small-molecule candidates, for development, partnering or licensing.
Proprietary technology
The internal research platform behind every program, built and owned in-house.
Reusable scientific knowledge
Structured data and traceable evidence that feed the next program.
Bring your target. Build a discovery program.
Two ways in, both run as a joint program with NeoraLab.
De novo discovery
You bring the target. We build the program.
Lead optimization
You bring a series. We work potency and properties.
Free platform access
Partners run on the full NeoraLab platform, at no cost, for as long as we work together.
Our therapeutic portfolio.
Proprietary small-molecule programs for future development, partnering, or licensing. We begin with antimicrobial resistance.
Antimicrobial resistance
Early discovery
We investigate small molecules with the potential to complement existing antibiotic therapies. Experimental validation guides what moves forward.
Beyond AMR
The same platform extends to other targets and therapeutic areas. Those programs are exploratory and still ahead of us.
NeoraLab Research
Every program leaves behind mechanistic insight, computational results, and the provenance to reproduce them.
Every discovery builds knowledge.
Computational predictions stay separate from experimental evidence. Selected research may be shared publicly; proprietary data and therapeutic IP stay within NeoraLab.
AI generates. Science decides.
We pair scientific reasoning with molecular design, with deep expertise in protein dynamics and allosteric regulation.
AI widens the search. Judgment, traceable evidence and wet-lab validation decide what we advance.
Who we are
We bring together AI engineering, software, molecular biology, and computational research to pursue new small-molecule therapeutics.
Let's advance therapeutic discovery.
We welcome conversations with pharma and biotech teams, scientific collaborators, and investors.
Discuss a collaboration
or write to [email protected]