Medicinal Plant Informatics

From Plant
to Drug Target
— In One Platform

The first cross-tradition platform connecting ethnopharmacological knowledge from Ayurveda, TCM, Unani, and Western herbalism to protein targets mapped via STITCH, ChEMBL, and Open Targets.

Live Platform

Compound-to-target network for Curcuma longa — 10 human protein targets, 3 bioactive compounds

3IT Phyto platform: compound-to-target network graph showing Curcumin, Bisdemethoxycurcumin, and ar-Turmerone connected to human protein targets
LIVE · Turmeric · Curcuma longa
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What We've Built

Infrastructure for botanical drug discovery

Cross-Tradition Knowledge

Ethnobotanical evidence from Ayurveda, TCM, Unani, and Western traditions — unified in one queryable graph.

Compound-to-Target Mapping

Bioactive compounds mapped to protein targets via STITCH and ChEMBL — 940K interactions filtered to 155K high-confidence pairs (composite score ≥ 0.7) with Open Targets disease associations.

Drug Discovery Infrastructure

Druggability scores, scaffold analysis, and TDC ADMET predictions (42 endpoints, Therapeutics Data Commons) + Chemprop GNN models — structured for downstream hit prioritization.

145 GB  ·  15 Years  ·  24.4M Literature Links

The Data Moat

Cross-tradition pharmacological datasets don't exist off the shelf. We've spent 15 years assembling 768K structurally catalogued compounds across four medical traditions. Of those, 318K are profiled with Lipinski drug-likeness (MW ≤ 500, LogP ≤ 5, HBD ≤ 5, HBA ≤ 10), ADMET predictions, and protein target annotations — the screened subset the platform operates on.

24.4 million literature linkages connecting plants, compounds, and protein targets across four pharmacological traditions. Disease associations draw on Open Targets scored links (0–1 scale); we surface only associations above 0.2, filtering out purely inferred CTD links. Compound-target-disease graphs that no public database covers end-to-end — enabling queries like: which protein targets are shared between Ashwagandha (Ayurveda) and Reishi (TCM)?

Validation in Progress

Computationally predicted compound–target pairs from the 155K high-confidence dataset are in early wet-lab validation. Validated discovery case studies will be published here as results emerge.

Integrated Sources

Chemistry & Interactions

PubChemChEMBLDrugBankSTITCHOpen TargetsUniProt

Traditional Medicine

IMPPATTCM BankETCMLOTUSMeSH / NLM

Pathways & Taxonomy

KEGGGBIFPOWOGene Ontology

How It Works

From ethnobotany to target identification

I

Traditional Knowledge

Ethnobotanical records across 4 medical traditions, curated and cross-linked by plant species.

II

Compound Analysis

Bioactive compound profiling with TDC ADMET (42 endpoints), Lipinski drug-likeness, and Chemprop GNN target predictions per plant.

III

Target Discovery

Protein target networks with disease associations, expression data, and clinical pathway linkages.

Market Opportunity

The gap is infrastructure. That's what we built.

$74B
Botanical drug market by 2033
Globe Newswire, 2024
2
FDA botanical NDAs — none since 2012
Veregen (2006) · Mytesi/crofelemer (2012)

Why hasn't this been built sooner? Integrating four distinct medical traditions with modern cheminformatics requires 15 years of manual, domain-specific curation — that's the moat.

See the investment thesis
3ITPhyto

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