Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 5/20 | 0.57 |
| ▸ | CASP3 | P42574 | 18/20 | 0.53 |
| ▸ | CASP8 | Q14790 | 15/20 | 0.53 |
| ▸ | CASP6 | P55212 | 12/20 | 0.53 |
| ▸ | CASP9 | P55211 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL20750648 | 1.00 | CASP1 (0.57) | CASP1CASP3CASP8CASP6CASP9 | |
| SCHEMBL8332177 | 0.92 | CASP1 (0.57) | CASP1CASP3CASP8CASP6CASP9 | |
| SCHEMBL8323035 | 0.84 | CASP3 (0.60) | CASP1CASP3CASP8CASP6CASP9 | |
| SCHEMBL473146 | 0.83 | CASP1 (0.60) | CASP1CASP3CASP8CASP6 | |
| SCHEMBL473149 | 0.83 | CASP1 (0.60) | CASP1CASP3CASP8CASP6 | |
| SCHEMBL473147 | 0.83 | CASP1 (0.60) | CASP1CASP3CASP8CASP6 | |
| SCHEMBL6005347 | 0.83 | CASP1 (0.60) | CASP1CASP3CASP8CASP6 | |
| SCHEMBL12567733 | 0.79 | CASP1 (0.57) | CASP1CASP3CASP8CASP6 | |
| SCHEMBL12567782 | 0.79 | CASP1 (0.57) | CASP1CASP3CASP8CASP6 | |
| SCHEMBL12567783 | 0.79 | CASP1 (0.57) | CASP1CASP3CASP8CASP6 |
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-2412707-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) | 2012-02-01 | — | — | EP | disclosed |