Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | CASP3 | P42574 | 17/20 | 0.46 |
| ▸ | CASP6 | P55212 | 17/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 17/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL79117 | 1.00 | CASP1 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL79119 | 1.00 | CASP1 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL79118 | 1.00 | CASP1 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL13632266 | 0.94 | CASP1 (0.41) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL78539 | 0.93 | CASP3 (0.53) | CASP3CASP6CASP8 | |
| SCHEMBL78538 | 0.93 | CASP3 (0.53) | CASP3CASP6CASP8 | |
| SCHEMBL78540 | 0.93 | CASP3 (0.53) | CASP3CASP6CASP8 | |
| SCHEMBL12569601 | 0.93 | CASP3 (0.53) | CASP3CASP6CASP8 | |
| SCHEMBL80168 | 0.90 | CASP3 (0.51) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL80166 | 0.90 | CASP3 (0.51) | CASP1CASP3CASP6CASP8 |
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 |
|---|---|---|---|---|---|---|---|
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |