Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.43 |
| ▸ | CTSB | P07858 | 8/20 | 0.42 |
| ▸ | CTSK | P43235 | 7/20 | 0.42 |
| ▸ | CTSL | P07711 | 8/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6107017 | 0.87 | CTSL (0.49) | CTSSCTSBCTSKCTSLCYP2D6 | |
| SCHEMBL6968541 | 0.86 | CTSS (0.56) | CTSSCTSBCTSKCTSLCYP2D6 | |
| SCHEMBL6974052 | 0.84 | CTSL (0.40) | CTSSCTSBCTSKCTSL | |
| SCHEMBL6957068 | 0.82 | CTSS (0.52) | CTSSCTSBCTSKCTSL | |
| SCHEMBL5362684 | 0.81 | CTSL (0.57) | CTSSCTSBCTSKCTSL | |
| SCHEMBL6105908 | 0.79 | CTSS (0.46) | CTSSCTSBCTSKCTSL | |
| SCHEMBL6966523 | 0.78 | CTSS (0.51) | CTSSCTSBCTSKCTSL | |
| SCHEMBL6106332 | 0.78 | CTSL (0.45) | CTSSCTSBCTSKCTSLCYP2D6 | |
| SCHEMBL6107492 | 0.77 | CTSS (0.59) | CTSSCTSBCTSKCTSL | |
| SCHEMBL5365084 | 0.76 | CTSS (0.51) | CTSSCTSBCTSKCTSLCYP2D6 |
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-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | claimed |