Aurentis Discover

The world's most comprehensive natural product intelligence platform.

2.07 million molecules. 2.8 million bioactivity records. 1.3M+ full-text scientific papers. Seven layers from literature to validated lead. Every lead assessed for dual application — cosmetic INCI novelty and pharmaceutical bioactivity — across 8 global markets simultaneously.

The Methodology

Seven layers. No shortcuts.

Literature Ingestion

1.3M+ full-text papers across 6 sources, 90 skin biology endpoints + 65 nutraceutical endpoints. Full text only — abstracts contain almost no quantitative bioactivity data.

NLP Extraction

289,392 NER records, 230,515 triples, 5 activity types (IC50/EC50/Ki/Kd/MIC) extracted via named entity recognition across compound names, biological targets, and quantitative activity values.

Molecule Registry

2,071,342 unique molecules across 24 databases, 2.84M bioactivity records. InChIKey-based deduplication across all sources.

Nature has spent 3 billion years optimizing molecules.
We built the infrastructure to find them.

Bioactivity Prediction

25 endpoint models, 1.92M molecules × 25 endpoints = 48M predictions. Polypharmacology screening across all targets simultaneously.

ADMET Screening

Computational ADMET profiling: drug-likeness scoring, structural alert detection, skin permeability, cardiac liability, and hepatotoxicity flags. All 13 confirmed leads cleared ADMET screening.

Regulatory Novelty

INCI novelty confirmed across 8 global markets for cosmetic applications. Pharmaceutical freedom-to-operate assessed in parallel. Isolated purified compounds assessed independently from botanical extracts — both INCI and patent claims.

Lead Prioritization

Multi-method docking validation across enzyme targets. Geographic occurrence mapping, commercial availability scoring, yield estimation, APAC botanical accessibility, CITES compliance, and scalability assessment for each lead.

What We Offer

From intelligence to lead.

For R&D Directors

Data-as-a-Service

Tell us your target. We show you what exists.

Deliver a ranked report of natural compounds with documented or predicted activity against your target of interest. Sourced from 2.07M structures and 2.8M bioactivity records.

Timeline: 1–2 weeks

For Ingredient Companies

Discovery-as-a-Service

We find what nobody has found.

A shortlist of 5–10 novel compounds confirmed for INCI novelty and bioactivity in your target category. Full data packages included. Designed for companies seeking novel IP in natural ingredients.

Timeline: 4–8 weeks

Ready to Develop

IP Licensing

Ready-to-develop molecules with full data packages.

License a confirmed lead compound with its complete in silico validation dataset — bioactivity predictions, ADMET profile, regulatory novelty assessment, and sourcing feasibility report.

Timeline: Immediate upon NDA

Submit your discovery brief→Our AI platform screens 2.07M molecules→We deliver a curated, ranked report with full data packages

Our AI platform screens 2.07M molecules → We deliver a curated, ranked report with full data packages

Submit a brief → contact@aurentisscience.com

Data Coverage

The registry driving discovery.

2,071,342

Unique molecules

2.84M

Bioactivity records

across 24 databases

1.3M+

Full-text papers

from 6 sources

2.84M

Structured assay values

IC50/EC50/Ki/Kd/MIC

48M

Predictive models

25 trained endpoints

Every data point in the Aurentis registry is traceable to its original peer-reviewed source. Activity values are sourced from public bioactivity databases and NLP extraction from 1.3M+ full-text papers. Computational predictions are clearly labeled.

Scale

Polypharmacology at scale.

Traditional discovery hunts one target at a time. We screen every molecule in the registry against every target simultaneously — surfacing molecules that hit multiple pathways at once.

The leads we file as IP are the ones nobody was looking for, because nobody was looking across targets.

154,389

Molecules with sub-micromolar activity across 3+ targets

132,302

With dual cosmetic + pharmaceutical relevance

48M

Predictions — 25 models × 1.92M molecules, run simultaneously

Confirmed Tier 1 Leads

13 Tier 1 novel leads. 8 markets confirmed.

All compounds confirmed novel across 8 global regulatory markets — assessed independently for cosmetic INCI status and pharmaceutical activity. Dual-use candidates with cosmetic primary applications and pharmaceutical optionality. Compound identities are confidential pending provisional patent filing. Available under NDA to qualified partners.

Reference	Primary Targets	Dual-Use Profile	Best IC50	Sourcing	Docking	Status
AUR-001	IL-1β + COX-2	Cosmetic anti-inflammatory + Pharma IL-1β (autoimmune)	65 nM	🟢 Commercially available	PARTIAL	US Provisional filed April 2026
AUR-002	Tyrosinase	Cosmetic skin-brightening (tyrosinase)	1.02 nM*	🟢 Commercially available	PARTIAL	Invention disclosure filed
AUR-003	Tyrosinase	Cosmetic skin-brightening (tyrosinase)	1.15 nM*	🟢 Commercially available	PARTIAL	Invention disclosure filed
AUR-004	Tyrosinase	Cosmetic skin-brightening (tyrosinase)	1.08 nM*	🟡 Limited availability	SUPPORTED	Invention disclosure filed
AUR-005	Tyrosinase	Cosmetic skin-brightening (tyrosinase)	1.10 nM*	🟡 Limited availability	PARTIAL	Invention disclosure filed
AUR-007	AChE + COX-2 + HDAC + Aromatase	Cosmetic anti-aging + Pharma AChE (neurological)	0.11 nM	🟢 Commercially available	SUPPORTED	US Provisional filed April 2026
AUR-008	ERα + HDAC + MMP	Cosmetic anti-aging + Pharma ERα (oncology)	7.43 nM	🟢 Commercially available	SUPPORTED	Invention disclosure filed
AUR-009	AChE + COX-2 + HDAC	Cosmetic anti-aging + Pharma AChE (neurological)	35.31 nM	🟡 Limited availability	SUPPORTED	Invention disclosure filed
AUR-011	Tyrosinase	Cosmetic skin-brightening (tyrosinase)	100 nM	🟢 Commercially available	PARTIAL	Invention disclosure filed
AUR-012	HDAC, COX-2, ERα, EGFR, cathepsin + 6 more	Cosmetic + pharmaceutical (multi-target, 11 targets)	—	🟡 Limited availability	SUPPORTED	Invention disclosure filed, provisional pending
AUR-013	COX-2, ERα, EGFR, cathepsin, cancer + 6 more	Cosmetic + pharmaceutical (multi-target, 11 targets)	—	🟡 Limited availability	SUPPORTED	Invention disclosure filed, provisional pending
AUR-014	HDAC, EGFR, cathepsin, cancer + 9 more	Cosmetic + pharmaceutical (multi-target, 13 targets)	—	🟡 Limited availability	PARTIAL	Invention disclosure filed, provisional pending
AUR-015	HDAC, EGFR, cathepsin, cancer + 10 more	Cosmetic + pharmaceutical (multi-target, 14 targets)	—	🟡 Limited availability	PARTIAL	Invention disclosure filed, provisional pending

* Predicted IC50 values from in silico models are marked with an asterisk (*). Values without asterisk are measured experimentally.

13 leads across 11 patent families. AUR-012 and AUR-013 represent the same patent family; AUR-014 and AUR-015 represent the same patent family.

Compound identities available under NDA. contact@aurentisscience.com

The Team

Built by practitioners.

Founder & CEO

Jeevan Prakash

Close to two decades in specialty and personal care industry. Extensive experience in selling various chemistries including botanical actives. Also built theformulator.ai.

Scientific Advisor

Dr. Sandeep Gadgil

M. Sc., PhD. Ex-Johnson & Johnson, ex-Dow Chemical. Expertise: natural product actives, bioactive delivery systems.

Advisory Board — expanding through 2026.

Access the portfolio.

We work with cosmetic ingredient companies, pharmaceutical partners, nutraceutical companies, and CROs seeking validated natural product leads. Compound identities disclosed under NDA following provisional patent filing.

contact@aurentisscience.com

Aurentis Science Pvt. Ltd. — Mumbai, India

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