Drug Discovery & Early Research

Drug Discovery & Early Research

Connect the evidence behind every early research decision

From target identification to lead optimization, early research data is scattered by design. Screening data, omics results, and safety assays sit apart from the public and commercial knowledge that gives them context, and the same gene or compound is often labeled differently in each.

DISQOVER connects it into a single, searchable knowledge layer, so research teams and their AI systems work with concepts, not source-specific labels.

The data you already have

Drug discovery data integration

Early drug discovery is a broad domain with two main segments: target identification and validation, and hit identification and lead optimization. In both, data integration means connecting internal, public, and commercial data into one place a research team can query, without migrating or restructuring the source systems themselves.

You do not need new data to get value from DISQOVER: computational biologists, drug discovery R&D teams, and pharmacologists already work with a recognizable set of public, proprietary, and licensed sources, and DISQOVER connects them.

Target identification and validation

Nomenclature and ontologies

HGNC
Gene Ontology
ChEBI
MeSH

Public data

Including licensed but free sources

  • Disease-target association: Open Targets, GWAS Catalog, PheWAS resources, DisGeNET, DepMap, cBioPortal, COSMIC, TCGA, gnomAD, ClinVar
  • Expression and tissue specificity: GTEx, Human Protein Atlas, Human Cell Atlas
  • Structure and tractability: PDB, AlphaFold DB
  • Pathway and protein data: Reactome, STRING, UniProt
  • Target safety: International Mouse Phenotyping Consortium (IMPC), FAERS
  • Patents, literature, and clinical trials: Google Patents, SureChEMBL, PubMed, Europe PMC, ClinicalTrials.gov

Proprietary data

  • Target screening data from ELN/LIMS systems (HTS results, assay readouts)
  • Internal target repositories
  • Internal literature and knowledge management repositories

Licensed / commercial data

  • Cortellis Drug Discovery Intelligence, Citeline Pharmaprojects
  • Licensed omics data (e.g., biobanks, curated single-cell databases, consortium datasets)
  • Commercial patent databases

Hit identification and lead optimization

Public data

  • Chemistry and bioactivity: ChEMBL, PubChem, PDB
  • Orthologs and model organism data: Ensembl Gene, MGI, IMPC

Proprietary data

  • Internal compound libraries and high-throughput screening output
  • Internal structural data (e.g., X-ray crystallography, cryo-EM)
  • In vitro safety and tox data
  • In vivo efficacy and model data
  • PK/PD and ADME assay data

Licensed / commercial data

  • Cortellis Drug Discovery Intelligence, Citeline Pharmaprojects
  • Small molecule, SAR, and bioactivity databases
  • Commercial compound catalogs

How it works

How DISQOVER approaches drug discovery data integration

DISQOVER resolves two problems at once: differences in terminology across systems, and the relationships between concepts that span domains, adding the traceability a target decision needs on top.

Semantic mediation

DISQOVER resolving different gene and compound names to a single concept

Cross-domain relations

Traceable provenance

DISQOVER result linking back to its source, version, and context

Outcomes

Better-informed decisions before the expensive stages

In early research, speed isn't the only goal.

Each target that moves forward commits budget and time to the stages that follow, so what matters most is having the full evidence behind the decision. DISQOVER connects your internal target and assay data with public life sciences knowledge, so your team decides with the whole picture in view, not just the part that was easy to collect.

Check the competitive and IP landscape before committing to a target

Today, trials, patents, and pipelines are checked in separate tools, often after work on a target has started, so crowded targets are found late. With all three linked to the target, teams see who else is pursuing it, and which patents cite it, before committing resources. The return is less investment in programs with little room to differentiate.

Clinical trials, patents, and your licensed pipeline data are connected to the same targets, diseases, and compounds as the scientific evidence, so a landscape check starts from the target itself.

Drop weak targets early and decide go/no-go on traceable evidence

Today, comparing targets means assembling evidence by hand from separate databases, so targets with thin genetic or pathway support can reach validation before the gaps show. With public, licensed, and internal evidence side by side, researchers rank targets up front, and review committees decide on evidence they can trace and defend. The return is less validation and screening effort spent on targets that don't hold up.

Open Targets, UniProt, GWAS Catalog, Reactome, and STRING come pre-harmonized and link to your own target data. Every finding traces back to its source and version.

Stop repeating experiments the organization has already run

Before a target enters a screening campaign, teams see connected internal assay results next to published pathway and genetic evidence. The return is that the organization does not pay twice for assays it has already run.

Past results are connected to the target rather than buried in project folders, so nobody has to rely on who remembers the earlier work.

The same harmonized data carries forward into translational and clinical work, so the evidence gathered for a target isn't rebuilt at the next stage.

Customer story

Cutting target assessment data prep time in half

Target assessment depends on pulling together disease-relevant data to evaluate whether a target is druggable and likely to work with minimal side effects. This customer's process involved manual data handling and disjointed workflows, creating bottlenecks in early discovery. They built a FAIR-compliant data lake for target assessment with DISQOVER at its foundation, unifying internal, licensed, and public target data into one structured, harmonized repository.

Target assessment customer story
  • Structured, harmonized dataInternal datasets are integrated with licensed and public sources in a single format, forming one repository of target-related information, pathways, annotations, and assessments.
  • Automated reportingAutomated ingestion and harmonization replaced time-intensive manual work, and the system generates target assessment reports in an editable format for stakeholders.
  • Measurable time savingsData preparation time dropped by over 50% and total report preparation time by about 40%, with researchers relying on the platform for data gathering, visualization, and tables.

DISQOVER's capabilities

Ask questions in natural language

DISQOVER supports natural language search directly in DISQOVER Explore, and through its MCP interface, AI agents and LLM applications can query the same knowledge layer in natural language, getting grounded, provenance-backed answers back either way.

Pre-built for life sciences

DISQOVER ships with industry-standard ontologies and domain-specific entity models out of the box, so drug discovery concepts are understood from day one, without months of configuration. For drug discovery and early research, that includes:

Gene and protein nomenclature

HGNC
Ensembl
UniProt

Pathway and process ontologies

Gene Ontology
Reactome

Chemistry and compound identifiers

ChEMBL
ChEBI
PubChem CID

Disease ontologies

MONDO
SNOMED CT
ICD-10
Orphanet

Automated data ingestion and harmonization

DISQOVER's data ingestion engine manages the import, transformation, and integration of every data source in one place, through a graphical interface that does not require specialized IT skills.

Ontologies, cross-references, contextual information, and named entity mapping harmonize the data as it comes in, so internal target data is automatically linked to public and licensed sources, without manual literature review to make the connection.

Governed, traceable access

DISQOVER tracks which sources contributed to every data point, so visibility can be restricted by user group without separate access-management tooling, consistent across the UI and the API.

This matters when internal screening data and licensed chemistry databases sit in the same knowledge layer but carry different access rights.

FAQ

Frequently asked questions

How does DISQOVER integrate data and resolve biological names across sources?

Drug discovery data integration brings your internal screening, omics, and target data together with public and commercial knowledge sources, so research teams can query across all of it from one place. DISQOVER ingests your data without changing your source systems and links it in a knowledge graph. In practice, a gene identified in an internal assay can be linked directly to its known pathways, associated diseases, and existing compounds.

Thanks to pre-harmonized Data Packages and DISQOVER's modeling capabilities, synonyms are recognized across sources, so EGFR, ErbB1, and HER1 resolve to the same concept. Searches also expand through concept hierarchies: a search for "neoplasm" includes "carcinoma" and "lymphoma." Scientists and AI agents get complete results whichever naming convention a source used.

Can DISQOVER connect internal screening data with public databases like Open Targets or ChEMBL?

Yes. DISQOVER ingests proprietary data such as high-throughput screening results and internal target repositories, and links it to public sources like Open Targets, UniProt, and ChEMBL, which ONTOFORCE pre-integrates and refreshes monthly as Data Packages. A researcher can move from an internal hit to published target and pathway evidence in the same session, with provenance preserved.

How do AI agents query DISQOVER for drug discovery questions?

Through DISQOVER's MCP server, AI agents and LLM applications such as Claude, ChatGPT, or a custom-made enterprise agent can query DISQOVER in plain language. Answers come from your DISQOVER data, respect each user's access rights, and include a link that reopens the exact result set, so scientists can verify what the agent worked from.

Do our scientists need to write queries?

No. Scientists explore data through DISQOVER Explore, using semantic search and interactive visualizations. They can also ask questions in plain English through an AI tool connected to DISQOVER's MCP server. No query language is needed.

How can we trust and reproduce what we find?

Every result links back to its source, version, and context. For AI queries, each answer includes a link that reopens the exact result set in DISQOVER. Search uses fixed, curated synonym rules rather than probabilistic matching, so the same query on the same data returns the same results.

Can we use DISQOVER data in our own AI and ML work?

Yes. The REST API and Python library give programmatic access. Harmonized data can be exported in Parquet, RDF, JSON, CSV, and other formats for ML pipelines, data lakes, and BI tools.

Does DISQOVER replace tools like Open Targets or ChEMBL?

No. DISQOVER connects and harmonizes data from sources like Open Targets and ChEMBL alongside internal data; it does not replace them. The value is in linking proprietary research to that public and commercial context in one searchable layer, rather than requiring teams to move between disconnected tools.

Related resources

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Speak with an expert

Talk to us about connecting your screening data, omics results, and public target evidence into one searchable knowledge layer.