Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 20/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL6063503 | 1.00 | CTSS (0.39) | CTSSCYP3A4CYP2C9CTSLCTSB | |
| SCHEMBL6693916 | 1.00 | CTSS (0.39) | CTSSCYP3A4CYP2C9CTSLCTSB | |
| SCHEMBL6062948 | 0.87 | CTSS (0.44) | CTSSCYP3A4CYP2C9CTSLCTSB | |
| SCHEMBL6691866 | 0.87 | CTSS (0.44) | CTSSCYP3A4CYP2C9CTSLCTSB | |
| SCHEMBL6630957 | 0.85 | PTPN1 (0.34) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL6062631 | 0.85 | PTPN1 (0.34) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL6630954 | 0.85 | PTPN1 (0.34) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL6467938 | 0.84 | CTSS (0.44) | CTSSCYP3A4CYP2C9CTSLCTSB | |
| SCHEMBL6467933 | 0.84 | CTSS (0.44) | CTSSCYP3A4CYP2C9CTSLCTSB | |
| SCHEMBL5413826 | 0.83 | CTSS (0.46) | CTSSCYP3A4CYP2C9 |
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-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |