Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 18/20 | 0.47 |
| ▸ | CTSB | P07858 | 9/20 | 0.37 |
| ▸ | CTSS | P25774 | 8/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24018895 | 0.94 | CTSK (0.47) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24019010 | 0.93 | CTSK (0.47) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24019048 | 0.91 | CTSK (0.46) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16635948 | 0.86 | CTSK (0.52) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24019009 | 0.86 | CTSK (0.52) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24018989 | 0.84 | CTSK (0.45) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636442 | 0.82 | CTSK (0.52) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24019001 | 0.79 | CTSK (0.53) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636167 | 0.79 | CTSK (0.53) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24018983 | 0.79 | CTSK (0.42) | CTSK |
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-3054947-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-17 | — | — | EP | disclosed |