Hypothesis generation for drug discovery

AI “KIBIT”, Natural Language and Biologists generate Hypothesis as a starting point for drug discovery

Hypothesis generation for drug discovery Hypothesis generation for drug discovery

Features of Drug Discovery AI Factory

Novelty

Discovery of unreported target molecules with high disease relevance utilizing self-developed AI “KIBIT”

High accuracy

Unique analysis methods extract target molecules with high probability of success

Hypothesis generation

Create gene network and generate hypothesis for unreported target molecules

Extraction of many unreported target molecules by utilizing KIBIT
Narrowing down the target molecules to even more precise targets utilizing original analysis methods

KIBIT is our proprietary natural language processing AI engine, designed to discover unreported relationships — associations not documented in literature — through a novel approach called non-continuous discovery. At the Drug Discovery AI Factory, we utilize KIBIT to generate networks that analyze the relationships among molecules associated with a disease. In this process, KIBIT also predicts target molecules even if their relationships to the disease are not reported.
Based on the network, we utilize our own innovative analysis methods, the Drug Discovery Best Known Method (DD-BKM), to narrow down the targets with high potential for new drugs.


Example: Gene network for disease A

: Target molecules that are highly relevant to disease A and whose relevance is not described in a paper

Example: Gene network for disease A
Disiease A Gene B
Search
No hit
Disiease A Gene C
Search
No hit

No linkage to disease A has been reported for both gene B and gene C

Extraction of genes with high probability of drug discovery success

: Target molecules with a high probability of successful drug discovery are selected from among target molecules that are highly relevant to disease A and whose relevance has not been described in papers.

Extraction of genes with high probability of drug discovery success

Analysis example

Virtual Experiments with KIBIT

We simulate how pathways are changed by hypothetically knocking out (KO) the target gene.
For example, in the figure below, a hypothetical KO of gene B has almost no effect on the network as it is only replaced by gene D. On the other hand, when gene C is knocked out, the network changes significantly, suggesting that gene C is the gene affecting the disease.

Analysis example Virtual Experiments with KIBIT

Unique technology to discover unknowns from known information
Predicts even molecules that have no association with disease in literatures

The main source of article data for analysis is PubMed, and Springer Nature article data can be added as an option. FRONTEO's drug discovery support platform is characterized by its ability to extract novel target molecules from previously reported information.


KIBIT can read known article information and derive unreported relationships.

Analysis example KIBIT can read known article information and derive new relationships.

Springer Nature

Extended function


Analyzes full-text data of about 600 journals published by Springer Nature
Promoting innovative discoveries based on a variety of cross-disciplinary findings by analyzing data from biomedical, biotechnology, and other fields

Comparison of full text analysis and abstract analysis

Comparison of full text analysis and abstract analysis

Increasing the number of genes analyzed by KIBIT allows for the discovery of more novel target molecules.

Comparison of full text analysis and abstract analysis

Bridges the time lag between being reported in abstract and discovering target molecules on average 5 years earlier

Experts with years of experience in drug discovery research make proposals that meet customer needs

To analyze highly specialized information and derive innovative outputs, drug discovery researchers with expertise in both drug discovery and AI is essential. FRONTEO brings together a team of researchers who have long been engaged in drug discovery at pharmaceutical companies and research institutions to realize useful proposals, including appropriate target molecules and indications and their hypotheses, in line with the needs of our clients.

FRONTEO's idea of hypothesis generation

FRONTEO's idea of hypothesis generation

The hypothesis to initiate the development of a new drug includes

  1. Target molecule: A gene or molecule etc., that is predicted to be associated with a disease.
  2. Disease mechanism: How the target molecule is related to the disease, etc.
  3. Patient information: Genome information, diseases, symptoms, etc., of the target patient group.
  4. Safety information: Toxicity of the drug candidate, etc.
  5. Feasibility: Proposed experimental model, etc.

FRONTEO believes that all of these factors need to be considered.