Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 19/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7043205 | 0.94 | CTSS (0.39) | CTSSCYP3A4CYP2C9CTSKXDH | |
| SCHEMBL6468436 | 0.88 | CTSS (0.44) | CTSSCYP3A4CYP2C9XDH | |
| SCHEMBL6466173 | 0.88 | CTSS (0.39) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL6462867 | 0.84 | CTSS (0.41) | CTSSCYP3A4CYP2C9XDH | |
| SCHEMBL6464424 | 0.82 | CTSS (0.43) | CTSSCYP3A4CYP2C9XDH | |
| SCHEMBL6464410 | 0.82 | FAAH (0.42) | CTSSCYP3A4CYP2C9CTSK | |
| SCHEMBL6467432 | 0.81 | P2RY14 (0.37) | CTSSCYP3A4CYP2C9CTSK | |
| SCHEMBL6462825 | 0.80 | XDH (0.38) | CYP3A4XDH | |
| SCHEMBL6463818 | 0.80 | CTSS (0.40) | CTSSCYP3A4CYP2C9CTSK | |
| SCHEMBL7046394 | 0.79 | CTSS (0.40) | CTSSCYP3A4CYP2C9XDH |
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-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |