Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 20/20 | 0.61 |
| ▸ | CTSL | P07711 | 7/20 | 0.52 |
| ▸ | CTSB | P07858 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6346981 | 0.98 | CTSS (0.63) | CTSSCTSLCTSB | |
| SCHEMBL6346986 | 0.98 | CTSS (0.63) | CTSSCTSLCTSB | |
| SCHEMBL5356354 | 0.94 | CTSS (0.64) | CTSSCTSLCTSB | |
| SCHEMBL5356358 | 0.94 | CTSS (0.64) | CTSSCTSLCTSB | |
| SCHEMBL6345817 | 0.92 | CTSS (0.61) | CTSSCTSL | |
| SCHEMBL6345811 | 0.92 | CTSS (0.61) | CTSSCTSL | |
| SCHEMBL6346240 | 0.91 | CTSS (0.59) | CTSSCTSLCTSB | |
| SCHEMBL6346237 | 0.91 | CTSS (0.59) | CTSSCTSLCTSB | |
| SCHEMBL7092505 | 0.89 | CTSS (0.54) | CTSSCTSLCTSB | |
| SCHEMBL5361884 | 0.89 | CTSS (0.65) | CTSSCTSLCTSB |
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 |