Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.61 |
| ▸ | CASP3 | P42574 | 13/20 | 0.55 |
| ▸ | CASP8 | Q14790 | 12/20 | 0.55 |
| ▸ | CASP6 | P55212 | 11/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL473187 | 1.00 | CASP1 (0.61) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL473190 | 1.00 | CASP1 (0.61) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL473188 | 1.00 | CASP1 (0.61) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL473179 | 0.97 | CASP1 (0.58) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL2003509 | 0.93 | CASP1 (0.61) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL2003507 | 0.93 | CASP1 (0.61) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL473098 | 0.93 | CASP1 (0.61) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL2001161 | 0.93 | CASP1 (0.60) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL2001162 | 0.93 | CASP1 (0.60) | CASP1CASP3CASP8CASP6CASP7 | |
| SCHEMBL473147 | 0.93 | CASP1 (0.60) | CASP1CASP3CASP8CASP6CASP7 |
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-1631549-A2 | 3-[2-(3-AMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004106304-A2 | 3 - [2- (3-AMINO-2-OXO-2H-PYRIDIN-1-YL) - ACETYLAMINO] - 4- OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-09 | — | — | WO | disclosed |