Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 4/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6695509 | 0.80 | FAAH (0.40) | FAAHCES1DAGLAXDHALDH1A1 | |
| SCHEMBL6465103 | 0.78 | FAAH (0.41) | FAAHCES1DAGLAXDHALDH1A1 | |
| SCHEMBL6629404 | 0.76 | MEN1 (0.41) | ALDH1A1NPC1RAB9A | |
| SCHEMBL5413826 | 0.73 | CTSS (0.46) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7187229 | 0.72 | CTSS (0.43) | FAAHCES1DAGLACTSSCYP3A4 | |
| SCHEMBL6465112 | 0.71 | CTSS (0.47) | FAAHCES1DAGLAALDH1A1CTSS | |
| SCHEMBL6463186 | 0.71 | CTSS (0.50) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL7048628 | 0.71 | CTSS (0.42) | FAAHCES1DAGLACTSSCYP3A4 | |
| SCHEMBL6691866 | 0.70 | CTSS (0.44) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL6467933 | 0.70 | CTSS (0.44) | 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-1383748-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002051983-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | WO | disclosed |