Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 16/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | PRSS8 | Q16651 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6468436 | 0.92 | CTSS (0.44) | ALDH1A1CTSSCYP3A4CYP2C9 | |
| SCHEMBL6464424 | 0.91 | CTSS (0.43) | ALDH1A1CTSSCYP3A4CYP2C9 | |
| SCHEMBL6475526 | 0.86 | FAAH (0.46) | FAAHCES1DAGLACTSSCYP3A4 | |
| SCHEMBL6466984 | 0.86 | PRSS8 (0.41) | CTSSCYP3A4CYP2C9CTSLCTSB | |
| SCHEMBL6062110 | 0.86 | CTSS (0.37) | FAAHCES1DAGLACTSSCYP3A4 | |
| SCHEMBL6462867 | 0.85 | CTSS (0.41) | ALDH1A1CTSSCYP3A4CYP2C9 | |
| SCHEMBL7046394 | 0.84 | CTSS (0.40) | ALDH1A1CTSSCYP3A4CYP2C9PRSS8 | |
| SCHEMBL6467558 | 0.83 | FAAH (0.46) | FAAHCES1DAGLACTSSCYP3A4 | |
| SCHEMBL6462828 | 0.82 | CTSS (0.41) | CTSSCYP3A4CYP2C9CTSK | |
| SCHEMBL6465390 | 0.82 | ALDH1A1 (0.41) | FAAHCES1DAGLAALDH1A1 |
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 |