Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL7009914 | 0.89 | KDM4E (0.37) | CTSK | |
| SCHEMBL6347363 | 0.82 | CTSS (0.40) | CTSLCTSSKCNH2MCHR2MCHR1 | |
| SCHEMBL6347362 | 0.82 | CTSS (0.40) | CTSLCTSSKCNH2MCHR2MCHR1 | |
| SCHEMBL6347367 | 0.82 | CTSS (0.40) | CTSLCTSSKCNH2MCHR2MCHR1 | |
| SCHEMBL6354676 | 0.76 | CTSS (0.40) | CTSLCTSSKCNH2CTSK | |
| SCHEMBL6354670 | 0.76 | CTSS (0.40) | CTSLCTSSKCNH2CTSK | |
| SCHEMBL6354672 | 0.76 | CTSS (0.40) | CTSLCTSSKCNH2CTSK | |
| SCHEMBL7007830 | 0.75 | LMNA (0.33) | CTSLCTSSCTSK | |
| SCHEMBL7679163 | 0.75 | LMNA (0.33) | CTSLCTSSCTSK | |
| SCHEMBL7005970 | 0.73 | CTSL (0.36) | 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 2 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 |