Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 14/20 | 0.54 |
| ▸ | CTSL | P07711 | 6/20 | 0.40 |
| ▸ | CTSB | P07858 | 6/20 | 0.39 |
| ▸ | CTSK | P43235 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6108760 | 0.89 | CTSS (0.59) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6964964 | 0.89 | CTSS (0.53) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6957068 | 0.88 | CTSS (0.52) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6971609 | 0.86 | CTSS (0.52) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6964214 | 0.84 | CTSS (0.68) | CTSSCTSLCTSB | |
| SCHEMBL6966523 | 0.84 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7081891 | 0.84 | CTSS (0.50) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6973986 | 0.81 | CTSS (0.63) | CTSSCTSLCTSB | |
| SCHEMBL6964222 | 0.80 | CTSS (0.67) | CTSSCTSLCTSB | |
| SCHEMBL5356608 | 0.79 | CTSS (0.52) | CTSSCTSLCTSBCTSKCYP3A4 |
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 |