Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 20/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7402990 | 0.87 | CTSS (0.45) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7573066 | 0.83 | CTSS (0.50) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7579015 | 0.80 | CTSS (0.44) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7572794 | 0.79 | CTSS (0.46) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7444842 | 0.79 | CTSK (0.56) | CTSS | |
| SCHEMBL7430838 | 0.78 | CTSS (0.46) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7493339 | 0.78 | CTSS (0.45) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7398214 | 0.77 | CTSS (0.47) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7401410 | 0.73 | CTSS (0.43) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL4700127 | 0.73 | CTSK (0.54) | CTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002080920-A1 | ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-10-17 | — | — | WO | claimed |