Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 17/20 | 0.41 |
| ▸ | CASP3 | P42574 | 3/20 | 0.35 |
| ▸ | CASP6 | P55212 | 2/20 | 0.35 |
| ▸ | CASP8 | Q14790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8322179 | 0.96 | CASP3 (0.40) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL13633200 | 0.90 | CASP1 (0.42) | CASP1CASP3 | |
| SCHEMBL12046723 | 0.88 | CASP1 (0.37) | CASP1 | |
| SCHEMBL12046950 | 0.88 | CASP1 (0.37) | CASP1 | |
| SCHEMBL78310 | 0.86 | CASP3 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL78309 | 0.86 | CASP3 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL3588915 | 0.86 | CASP3 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL78311 | 0.86 | CASP3 (0.47) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL8320800 | 0.86 | CASP1 (0.39) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL12046989 | 0.86 | CASP1 (0.39) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612091-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-03 | — | — | US | disclosed |