Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 20/20 | 0.65 |
| ▸ | CTSB | P07858 | 13/20 | 0.46 |
| ▸ | CTSS | P25774 | 10/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16644716 | 0.93 | CTSK (0.67) | CTSKCTSBCTSSKCNH2CTSL | |
| SCHEMBL18531320 | 0.92 | CTSK (0.77) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636416 | 0.91 | CTSK (0.68) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636469 | 0.90 | CTSK (0.64) | CTSKCTSBCTSSKCNH2CTSL | |
| SCHEMBL24019032 | 0.88 | CTSK (0.65) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16635957 | 0.88 | CTSK (0.84) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16635956 | 0.88 | CTSK (0.75) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16636466 | 0.87 | CTSK (0.73) | CTSKCTSBCTSSKCNH2CTSL | |
| SCHEMBL16636414 | 0.87 | CTSK (0.75) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16635977 | 0.85 | CTSK (0.63) | CTSKCTSBCTSSKCNH2CTSL |
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 |