Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7007018 | 0.92 | CTSL (0.33) | CTSLCTSSCTSD | |
| SCHEMBL6345933 | 0.80 | CTSS (0.45) | CTSLCTSS | |
| SCHEMBL6345942 | 0.80 | CTSS (0.45) | CTSLCTSS | |
| SCHEMBL6345935 | 0.80 | CTSS (0.45) | CTSLCTSS | |
| SCHEMBL7010769 | 0.73 | CTSL (0.32) | CTSLCTSS | |
| SCHEMBL7011171 | 0.72 | CTSS (0.35) | CTSLCTSS | |
| SCHEMBL6352282 | 0.72 | CTSS (0.47) | CTSLCTSS | |
| SCHEMBL7007584 | 0.70 | CTSL (0.51) | CTSLCTSS | |
| SCHEMBL7007715 | 0.70 | CTSS (0.39) | CTSLCTSS | |
| SCHEMBL5363187 | 0.67 | CTSS (0.39) | CTSLCTSS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | claimed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | claimed |
| EP-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | disclosed |