MOA Embedding Representation for Confident Perturbation Prediction

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Solution Overview

Problem

Conventional systems face inefficiencies and inaccuracies in utilizing digital signals from cell images to predict biological relationships, particularly in inflexible and rigid model frameworks that fail to accurately infer mechanism of actions (MOAs) from cell data.

Innovation Solution

A mechanism-of-action detection system generates MOA representations using cell representation embeddings within a shared feature space, annotates these embeddings with known MOAs, and determines confidence scores to predict MOAs for query perturbations, leveraging machine learning models to efficiently and flexibly draw accurate biological relationship inferences.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Adaptability or versatility

If conventional computer-based models are used to extract and analyze digital signals from cell images, then feature extraction can be performed, but the utilization of extracted features is inflexible and inefficient

Engineering Contradiction:
Improveflexibility of feature utilizationVSAvoidefficiency of feature utilization
Core Design Contradiction:
Adaptability or versatilityVSProductivity

Solution Approach 1:

The patent implements a universal feature space that can accommodate multiple types of cell representations (microscopy images, flow cytometry data, sequencing data) and multiple analysis tasks (phenotype classification, mechanism of action prediction, similarity search). This multi-functional framework allows the same extracted features to be reused across different downstream applications, resolving the contradiction between flexibility and efficiency.

Inventive Principle:
Principle #6Universality (Multi-functionality)

Solution Approach 2:

The system employs dynamic clustering algorithms that adaptively group cell representations based on their features, rather than using fixed predetermined categories. The clustering structure can be reconfigured for different analysis tasks, providing both flexibility in feature utilization and efficiency through optimized groupings for specific purposes.

Inventive Principle:
Principle #15Dynamics

2Measurement precision

If conventional systems infer biological relationships from cellular phenotypes using deep vision models, then biological signals can be captured, but prediction accuracy of certain biological relationships is insufficient

Engineering Contradiction:
Improveaccuracy of biological relationship predictionVSAvoidaccuracy of MOA prediction
Core Design Contradiction:
Measurement precisionVSReliability

Solution Approach 1:

The patent merges multiple sources of information including cell representation features, cluster assignments, and similarity metrics into a unified prediction framework. By combining these different types of data and integrating them through a cohesive model, the system achieves more accurate and reliable mechanism of action predictions than conventional single-source approaches.

Inventive Principle:
Principle #5Merging (Combining)

Solution Approach 2:

The patent introduces cluster assignments as an intermediary layer between raw cell features and final biological relationship predictions. This intermediate representation captures essential patterns in the data while reducing noise, thereby improving the accuracy and reliability of downstream predictions without losing important biological signals.

Inventive Principle:
Principle #24Intermediary (Mediator)

3Reliability

If a rigid model framework is used for analyzing cell data, then model simplicity is maintained, but accurate inference of mechanism of actions cannot be achieved

Engineering Contradiction:
Improveaccuracy of MOA inferenceVSAvoidcomplexity of model framework
Core Design Contradiction:
ReliabilityVSDevice complexity

Solution Approach 1:

The patent segments the analysis process into distinct modular components: feature extraction, clustering, similarity computation, and prediction. Each module performs a specific function and can be independently optimized or replaced. This segmentation enables accurate MOA inference through sophisticated processing while maintaining manageable system complexity through clear separation of concerns.

Inventive Principle:
Principle #1Segmentation

Data Source

PatentUS20250356944A1Generating a mechanism of action representation from cell representation embeddings to predict a mechanism of action for a perturbation
Publication Date: 2025.11.20 RECURSION PHARMACEUTICALS INC
  • US20250356944A1 patent drawing
  • US20250356944A1 patent drawing
  • US20250356944A1 patent drawing

AI summary

The present disclosure relates to systems, non-transitory computer-readable media, and methods for deducing information for mechanism of actions (MOAs) utilizing digital signals from cell representations within a shared feature space. In particular, the disclosed systems can deduce (or predict) MOAs by generating MOA representations with corresponding detection confidence scores that indicate whether cell representations in a MOA representation provide a meaningful signal to predict the MOA. Indeed, the disclosed systems can determine a cluster of cell representation embeddings (in the shared feature space) based on annotated cell representation embeddings corresponding to a known MOA to generate an MOA representation. Furthermore, the disclosed systems can utilize MOA representations, within the shared feature space, to predict MOAs for a query cell representation (of a perturbation). Moreover, the disclosed systems can also generate a measure of confidence (that the query perturbation exhibits the predicted MOA (from the MOA representation).