Iktos

Iktos is a Paris-based life sciences technology company founded in 2016 that combines generative AI, retrosynthesis AI, and robotics to transform small-molecule drug discovery. By integrating every step of the Design-Make-Test-Analyze (DMTA) cycle into a unified, increasingly autonomous platform, Iktos aims to compress the drug discovery timeline from target identification to preclinical candidate to under 24 months. The company serves pharmaceutical companies, biotechs, and academic institutions, having completed over 60 collaborations since its founding, and also maintains an in-house drug discovery pipeline across oncology, metabolic disease, and inflammation.

Iktos was awarded a prestigious €2.5M European Innovation Council (EIC) Accelerator grant — with an option for an additional €5M investment — recognizing its pioneering integration of generative AI, robotics, and high-precision biological screening. The company raised a Series A of €15.5M in 2023 and acquired Synsight in 2024 to further expand its integrated platform capabilities.

Core Platform Products

• Makya (Generative AI for Molecular Design): Makya is Iktos's flagship generative AI SaaS platform for de novo drug design. It creates diverse, novel, and medchem-like molecules using a chemistry-driven approach that ensures synthetic accessibility. Key features include multi-parametric optimization, inclusion of 3D structural constraints, and a focus on generating molecules that are optimized for downstream robotic synthesis.
• Spaya (Retrosynthesis AI): Spaya is an AI-driven retrosynthesis platform that rapidly identifies the most feasible synthetic routes for target compounds, tracing them back to commercially available starting materials. It offers real-time display of retrosynthetic routes, customizable synthesis steps and constraints, and integration with various data providers. Spaya is designed to be compatible with Iktos's robotic synthesis systems.
• Iktos Robotics Chemistry (Autonomous Lab): The Iktos autonomous lab manages the complete synthetic process end-to-end, from workflow management and raw material ordering to executing chemical synthesis, purification, and analysis. Molecules designed by Makya are specifically optimized for robotic synthesis, enabling high-throughput data generation and rapid DMTA iteration. Purification capabilities are an ongoing integration within this module.
• Iktos Robotics Biology (In-Cellulo Screening): This module generates multidimensional biological data using an imaging platform to guide Makya's generative AI. It identifies small-molecule modulators of protein activity, protein-protein interactions, and RNA-protein interactions in biologically relevant environments. Key use cases include protein-protein interactions, RNA-protein interactions, protein-protein self-assembly, molecular glues, and PROTACs — enabling optimization even for the most challenging drug targets.

Integrated DMTA Workflow

• The platform follows a molecule from inception to drug candidate through iterative DMTA cycles: Makya designs molecules, Spaya plans their synthesis, Iktos Robotics Chemistry executes synthesis and analysis, and Iktos Robotics Biology provides biological screening data to feed back into the next design cycle.
• This closed-loop, AI-driven approach is designed to significantly reduce the time required to identify viable drug candidates, with the integrated platform targeting a discovery phase of under two years.
• The integrated platform was formally launched in 2024, combining Spaya, Makya, and Robotics into a single offering.

In-House Drug Discovery Pipeline

• MTHFD2 — Therapeutic area: Inflammation and autoimmune diseases; currently progressing through hit discovery to lead optimization stages.
• Amylin Receptor — Therapeutic area: Obesity and metabolism; advancing through the discovery pipeline.
• SKP2-CKS1 — Therapeutic area: Immuno-oncology; progressing through hit discovery and lead optimization.
• The in-house pipeline demonstrates Iktos's ability to apply its own AI and robotics technology across all stages of drug development, from target identification through to preclinical candidate selection.

Partnerships, Collaborations, and Integrations

• Iktos has completed over 60 collaborations with leading pharmaceutical companies, biotechs, and academic institutions since 2016.
• Recent notable partnerships include a collaboration with Chemspeed to unlock new possibilities in automated chemical research, an integrated drug discovery collaboration with Pierre Fabre Laboratories, and a strategic collaboration with Servier.
• Spaya integrates with various external data providers to support synthesis planning.
• The platform is supported by the European Innovation Council, reflecting its recognition as a pioneering deep-tech life sciences platform.

Leadership and Scientific Advisory

• Yann Gaston-Mathé (Co-Founder & CEO) — MS from École Polytechnique Paris and AgroParisTech; 20+ years of experience in pharma R&D, strategic consulting, and biotech entrepreneurship.
• Quentin Perron (Co-Founder & CSO) — PhD in organometallic chemistry from the University of Geneva; medicinal chemist and data scientist leading R&D strategy and portfolio development.
• Nicolas Do Huu (Co-Founder & CTO) — PhD in Artificial Intelligence; leads all technological development at Iktos, with prior experience in distributed computation platforms for big data.
• Roman Fleck (Chairman of the Board) — MBA from NYU Stern and PhD in organic chemistry from MIT; extensive background in pharmaceutical research, investment, and company leadership, with 20+ patents filed.
• The board includes representatives from M Ventures (the venture arm of Merck KGaA) and Omnes, reflecting strong institutional backing from the life sciences investment community.
• Rafael Gomez-Bombarelli (Scientific Advisory Board) — Paul M. Cook Career Development Professor at MIT, leading the Learning Matter Lab; a recognized innovator in AI-driven molecular design and recipient of the Sloan Fellowship and Camille and Henry Dreyfus Foundation award.

Since its founding in 2016, Iktos has built a track record of consistent delivery across pharmaceutical partnerships while simultaneously advancing its own pipeline and platform capabilities. With its fully integrated generative AI and robotics ecosystem, Iktos is positioned as a trusted partner for organizations seeking to accelerate small-molecule drug discovery and bring new treatments to patients faster.