Epigenetic Target Profiler

Epigenetic Target Profiler predicts the epigenetic protein targets of small molecules, providing computational target annotation across a panel of 55 distinct epigenetic targets to support identification of epigenetic modulators.

Key Features:

• Target panel: Covers a comprehensive panel of 55 distinct epigenetic targets.
• Consensus modeling: Integrates two binary classification models per target to produce consensus predictions.
• Algorithms: Uses support vector machines (SVMs) for binary classification.
• Molecular representations: Models are built on molecular fingerprints of varied design.
• Prediction confidence: Provides a distance-to-model parameter that quantifies the reliability of predicted bioactivity profiles.

Scientific Applications:

• Epigenetic target prediction: Assigns probable epigenetic protein targets to small molecules.
• Compound prioritization: Ranks small molecules for experimental follow-up based on predicted epigenetic activity and confidence.
• Drug discovery support: Aids identification and development of therapeutic agents targeting epigenetic mechanisms.

Methodology:

For each of the 55 epigenetic targets, two binary support vector machine classifiers built on molecular fingerprints are combined into a consensus model, and a distance-to-model parameter is computed to indicate prediction reliability.