Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 8/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6468626 | 0.86 | CTSS (0.44) | CTSSCTSKFAAHCES1NPC1 | |
| SCHEMBL6463414 | 0.86 | CTSS (0.44) | CTSSCTSKFAAHCES1NPC1 | |
| SCHEMBL2510387 | 0.78 | CTSS (0.51) | CTSSFAAHNPC1RAB9A | |
| SCHEMBL7049546 | 0.77 | CTSK (0.51) | CTSSCTSKCYP3A4CYP2C9 | |
| SCHEMBL6465103 | 0.76 | FAAH (0.41) | CTSSFAAHCES1NPC1RAB9A | |
| SCHEMBL2508257 | 0.76 | CTSS (0.53) | CTSSFAAHNPC1RAB9A | |
| SCHEMBL6467112 | 0.76 | CTSK (0.47) | CTSSCTSKFAAHCES1CYP3A4 | |
| SCHEMBL5416092 | 0.75 | CTSS (0.48) | CTSSCTSKCYP3A4CYP2C9 | |
| SCHEMBL6463782 | 0.74 | CTSS (0.43) | CTSSCTSKFAAHCES1CYP3A4 | |
| SCHEMBL2508339 | 0.73 | CTSS (0.54) | CTSSFAAH |
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 |