Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 17/20 | 0.56 |
| ▸ | CTSB | P07858 | 7/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16635982 | 0.90 | CTSK (0.62) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16635980 | 0.90 | CTSK (0.70) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24018859 | 0.88 | CTSK (0.56) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636548 | 0.83 | CTSK (0.58) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636546 | 0.83 | CTSK (0.65) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL24018858 | 0.83 | CTSK (0.80) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL18531317 | 0.83 | CTSK (0.80) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636060 | 0.81 | CTSK (0.73) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636056 | 0.81 | CTSK (0.82) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16635957 | 0.81 | CTSK (0.84) | 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-3054947-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-17 | — | — | EP | disclosed |