Compare Proteins Topologically (TDA Fingerprint Distance)
compare_proteins_topologicallyCompare protein structures by computing pairwise TDA-fingerprint distances to identify topological similarities for drug repurposing and off-target screening.
Instructions
Compare multiple proteins using a TDA-fingerprint distance.
Computes a pairwise distance matrix between the TDA fingerprints of
the provided proteins. Distance metric: L2 distance between
length-normalised 64-dimensional fingerprint vectors (see
_fingerprint_distance). Distance = 0 means identical
fingerprints; larger values mean more divergent fingerprints. This
is not a Wasserstein distance between persistence diagrams.
Applications: Possible uses (all of which require independent validation before any downstream use):
Drug-repurposing triage: proteins with low fingerprint distance may share gross topology.
Off-target screening: family members with near-zero distance.
Cross-species comparison of the same gene's structure.
None of these are direct functional or sequence-similarity measures.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| params | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||