Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 18/20 | 0.52 |
| ▸ | CTSB | P07858 | 5/20 | 0.37 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18279756 | 0.90 | CTSK (0.58) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17020304 | 0.90 | CTSK (0.65) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008198 | 0.90 | CTSK (0.52) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008199 | 0.89 | CTSK (0.58) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL23967994 | 0.89 | CTSK (0.66) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL23968049 | 0.88 | CTSK (0.43) | CTSKCTSBCTSS | |
| SCHEMBL23968009 | 0.88 | CTSK (0.51) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008340 | 0.88 | CTSK (0.57) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008341 | 0.87 | CTSK (0.50) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL23968012 | 0.87 | CTSK (0.57) | CTSKCTSBCTSSKCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3104705-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-03 | — | — | EP | disclosed |