Neoantigen Vaccine Sequence Selection via In Silico Simulation

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Solution Overview

Problem

Developing effective neoantigen vaccines for cancer therapy is challenging due to the complexity of epitope presentation and recognition by the immune system, which can result in off-target or autoimmune responses.

Innovation Solution

A computer-implemented method for selecting amino acid sequences for inclusion in a neoantigen vaccine by simulating cancer cells, predicting cell surface presentation, and optimizing the selection of candidate neoantigen sequences to maximize the likelihood of eliciting an immune response.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If multiple candidate neoantigen amino acid sequences are selected for inclusion in a vaccine, then the likelihood of eliciting an immune response increases, but the risk of off-target or autoimmune responses increases

Engineering Contradiction:
Improvelikelihood of eliciting immune responseVSAvoidoff-target or autoimmune responses
Core Design Contradiction:
ReliabilityVSObject-affected harmful factors

Solution Approach 1:

The patent applies preliminary action by simulating cancer cell presentation of candidate neoantigen sequences before actual vaccine administration. The method predicts which sequences will be presented on MHC molecules and will elicit immune responses, allowing selection of optimal sequences in advance. This preliminary simulation prevents selection of sequences that could cause off-target responses while ensuring selection of sequences that will effectively target cancer cells.

Inventive Principle:
Principle #10Preliminary action

Solution Approach 2:

The patent uses computational copying by creating in silico models of cancer cells that replicate the biological processes of antigen presentation. Instead of testing actual vaccine candidates on real cells (which would be time-consuming and risky), the method creates virtual copies that simulate MHC binding and T cell recognition, allowing safe prediction of immune responses before clinical application.

Inventive Principle:
Principle #26Copying

2Adaptability or versatility

If the vaccine targets multiple cancer cell types or mutations, then the versatility of the vaccine increases, but the complexity of predicting immune response increases

Engineering Contradiction:
Improveability to target multiple cancer cellsVSAvoidcomplexity of epitope presentation and recognition
Core Design Contradiction:
Adaptability or versatilityVSDevice complexity

Solution Approach 1:

The patent applies universality by developing a computational method that can evaluate multiple candidate neoantigen sequences against multiple MHC alleles simultaneously. The system is designed to handle diverse cancer cell types and mutation profiles through a unified simulation framework, allowing the same methodology to be applied across different patients and cancer types without requiring separate approaches for each case.

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

Solution Approach 2:

The patent applies segmentation by breaking down the complex immune response prediction into discrete, manageable components: individual MHC binding predictions, individual T cell recognition predictions, and individual cancer cell simulation. By segmenting the overall prediction task into these smaller units, the system can systematically evaluate multiple candidates across multiple cell types while maintaining computational tractability.

Inventive Principle:
Principle #1Segmentation

Data Source

PatentUS20250095771A1Methods of vaccine design
Publication Date: 2025.03.20 NEC LAB EURO GMBH
  • US20250095771A1 patent drawing
  • US20250095771A1 patent drawing

AI summary

A method for selecting an amino acid sequence for inclusion in a neoantigen vaccine from a set of candidate neoantigen amino acid sequences is provided. A plurality of cancer cells are simulated based on a set of input data related to a patient by predicting a cell surface presentation of each cancer cell. For each candidate neoantigen amino acid sequence, a likelihood is predicted of each candidate neoantigen amino acid sequence eliciting an immune response to the plurality of cancer cells based on the predicted cell surface presentation of each cancer cell. One or more amino acid sequences is selected for inclusion in the neoantigen vaccine that maximizes a likelihood of the neoantigen vaccine eliciting an immune response to the plurality of cancer cells based on the predicted likelihood of each candidate neoantigen amino acid sequence eliciting an immune response to the plurality of cancer cells.