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Accelerate Drug Discovery with AI-Powered Knowledge & Target Exploration

LSKB is a cloud-based target exploration system specifically designed to support drug discovery. It integrates AI-driven literature interpretation with curated databases to power:

  • Target & biomarker discovery from disease data

  • Target prediction from compound structures

  • Drug repurposing and mechanism-of-action (MoA) inference

  • Toxicity & safety profiling

The platform combines diverse biomedical data sources—including compounds, genes, proteins, diseases, and functions—with AI-enhanced workflows for actionable insights  .

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Core Functional Modules

Target Exploration

  • Identify potential therapeutic targets based on disease profiles

Biomarker Discovery

  • Extract biomarker candidates through ontology-based inference

GO‑MoA Analysis

  • Link disease-target pairs to compound functions for repurposing and MoA hypothesis generation

Target Prediction

  • Predict targets from molecular structure similarity and assay data

Protein Similarity Extension

  • Expand candidate targets via structural and sequence-level similarity

Toxicity & Safety Insights

  • Surface liver- or mechanism-based toxicity targets with evidence

Expression‑Based MoA Parsing

  • Analyze MoA and toxicity from gene expression data (e.g., GSEA, zebrafish datasets)

Workflow Builder

  • Automate custom exploration pipelines and recursive updates

Decision Support Tool (ElpisMap)

  • Visualize compound–target networks using combined internal and external data

These modules support both intuitive hypothesis exploration and scalable target identification workflows  .

Platform Benefits

  • Combines AI-based text mining (e.g., BERT or MNLI inference) with 12+ biomedical databases for high-quality semantic relationships

  • Capable of extracting protein–disease–compound relationships via multiple inference routes (target, repurposing, biomarker)

  • Supports safe exploration by integrating assay data and toxicity indicators

  • Enables customizable, repeatable pipelines for streamlined in-house or contracted analysis
     

Includes workflow visualization tools like ElpisMap to support decision-making based on compound activity patterns and network context 

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Microbiome Functional Knowledge Platform

@KIN Web DB (part of our @KIN series) is a curated web-accessible database that enriches microbiome CRO analyses with functional and mechanistic context.

KIN-db allows researchers to explore functional relationships between microbes by using a rich set of predefined hypotheses, categorized by biological functions, interaction types, and environmental contexts.

Types of Functional Insights:

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Organization

Bacteria associated with specific body sites (oral cavity, skin, gut), or coexisting and interacting with dominant species in those sites.

Mechanisms

Bacteria with known functions across environments, including signal molecule production, bacterial interference, biofilm formation, skin barrier function, gut-brain axis, and disease association.

Health & Disease

Bacteria linked to health states, disease onset, treatment effects, antibiotics, and probiotic interactions.

Application

Bacteria relevant to product development or therapeutic outcomes, such as those involved in effectiveness, interaction, and impact in prebiotics, probiotics, or synbiotics.

Bacterial Interaction

Bacteria involved in interactions such as metabolic byproduct exchange, competition for nutrients or adhesion, biofilm formation/inhibition, host immune modulation, and compound signaling.

Enzyme Activity

Bacteria associated enzymes, including hydrolases, lyases, oxidases, reductases, and transferases, with relevance to enzymatic production and activity.

Metabolites

Bacteria metabolites, including synthesis, transformation, interaction with metabolic profiles, or antibiotic compound generation.

Toxicity

Bacteria associated  toxins (e.g., endotoxins, exotoxins), and involved in toxicity mechanisms, pathogenicity, antibiotic resistance, quorum sensing, and disease symptoms.

Types of Functional  Class and Aspect

 Bacterial Interaction

  • Quorum Sensing

  • Biofilm Formation

  • Cross-Feeding

  • Competition for Nutrients

  • Antibiosis (e.g., bacteriocins)

  • Co-aggregation

  • Symbiosis

  • Antibiofilm Effect

  • Cooperation

  • Host Interaction

  • Virulence Factor Production

 Host Interaction

  • Immune Modulation

  • Host Immune Response

  • Host Infection

  • Cell Death / Apoptosis

  • Inflammatory Response

  • Dysbiosis

  • Axis Dysfunction (Gut-Brain, Gut-Skin, etc.)

  • Behavioral Phenotype Changes

 Metabolism & Enzymes

  • SCFA (Butyrate, Propionate, Acetate) Production

  • Vitamin Synthesis

  • Metabolic Shift

  • Enzymatic Activity:

    • Hydrolase, Oxidase, Kinase

    • Phosphatase, Protease, Lipase

    • Others

Toxicity & Resistance

  • Endotoxin

  • Exotoxin

  • Cytotoxin / Enterotoxin / Neurotoxin

  • Hemolysin

  • Antibiotic Resistance (efflux pumps, HGT, etc.)

  • Biofilm-Associated Resistance

  • Toxin Production Related to Pathogenicity

Environmental Influence

  • Nutrient Deprivation

  • Stress Conditions

  • Antibiotic Exposure

  • Circadian Rhythm Influence

  • Quorum Quenching

  • Signal Molecule Interference

Therapeutic Relevance

  • Drug Metabolism Modulation

  • Biomarker Association

  • Horizontal Gene Transfer

  • Antibiotic Efflux Pumps

  • Axis-Mediated Modulation

  • Microbial-Derived Therapeutics Potential

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