Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 20/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8284880 | 0.85 | CTSS (0.45) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL8284872 | 0.85 | CTSS (0.53) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL13504904 | 0.82 | CTSS (0.52) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL14507978 | 0.74 | CTSS (0.54) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL8284873 | 0.74 | CTSS (0.45) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL8283330 | 0.73 | CTSS (0.44) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL3623534 | 0.73 | CTSS (0.42) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL14523321 | 0.72 | CTSS (0.46) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7043174 | 0.72 | CTSS (0.51) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL12196272 | 0.72 | CTSS (0.53) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |