Off Target Prediction & Polypharmacology — Hands-on

Learn how to profile off target risks and polypharmacology in discovery pipelines. You will work with chemogenomic style data, similarity and simple network views to understand how compounds may engage multiple targets, summarize potential liabilities and communicate risk aware design suggestions to project teams.

Off Target Prediction & Polypharmacology

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Session Index

Session 1 — Off Target Concepts & Liability Landscape Session 2 — Target Panels, Similarity & Networks Session 3 — Polypharmacology Profiles & Workflows Session 4 — Mini Capstone: Off Target & Polypharmacology Brief

Session 1

Fee: Rs 8800

Off Target Concepts & Liability Landscape

On target vs off target actions in discovery

efficacy vs safety perspectives safety pharmacology focus (conceptual) role in series triage

Key classes of off targets and liability themes

GPCRs and ion channels (high level) kinases and enzymes (conceptual) simple risk categories

Chemogenomic style data and panels (overview)

compound–target matrices activity vs concentration notions panel based thinking

Session 2

Fee: Rs 11800

Target Panels, Similarity & Networks

Target panel style data organisation

activity tables and matrices thresholds and flags (conceptual) heatmap style views

Similarity and substructure search for off targets

fingerprint similarity concepts chemotype and scaffold ideas simple analogue reasoning

Network style views of compound–target space

bipartite network concepts hub targets and hubs compounds visual inspection of risk clusters

Session 3

Fee: Rs 14800

Polypharmacology Profiles & Workflows

Desired vs adverse polypharmacology (conceptual)

multi target efficacy ideas side effect and liability themes series level patterns

Building simple polypharmacology profiles

count and intensity style metrics target class based summaries traffic light style scoring

Workflows for off target and polypharmacology triage

panel and similarity inputs summary tables and plots prioritisation of compounds and series

Session 4

Fee: Rs 18800

Mini Capstone: Off Target & Polypharmacology Brief

Assemble an off target and polypharmacology panel for a small series

Theory + Practical

Summarise risks and opportunities at series level

heatmaps and panel tables traffic light risk views short prioritisation notes

Deliverables: off target panel, polypharmacology snapshot & narrative

spreadsheet and plots one page briefing slide PDF or HTML summary

PDF

Off Target Prediction & Polypharmacology Training | Chemogenomic Panels & Risk Profiling

Off Target Prediction & Polypharmacology — Hands-on