Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 5/20 | 0.38 |
| ▸ | PSMB9 | P28065 | 3/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13951230 | 1.00 | CASP1 (0.38) | CASP1PSMB9CASP3CASP8ALDH1A1 | |
| SCHEMBL14209530 | 1.00 | CASP1 (0.38) | CASP1PSMB9CASP3CASP8ALDH1A1 | |
| SCHEMBL13928562 | 1.00 | CASP1 (0.38) | CASP1PSMB9CASP3CASP8ALDH1A1 | |
| SCHEMBL13928561 | 0.91 | PSMB9 (0.38) | CASP1PSMB9CASP3CASP8 | |
| SCHEMBL14209515 | 0.91 | CASP1 (0.39) | CASP1PSMB9 | |
| SCHEMBL13951123 | 0.91 | CASP1 (0.39) | CASP1PSMB9 | |
| SCHEMBL13928567 | 0.91 | CASP1 (0.39) | CASP1PSMB9 | |
| SCHEMBL14209507 | 0.91 | PSMB9 (0.38) | CASP1PSMB9CASP3CASP8 | |
| SCHEMBL13950881 | 0.91 | PSMB9 (0.38) | CASP1PSMB9CASP3CASP8 | |
| SCHEMBL13928568 | 0.90 | PSMB9 (0.37) | CASP1PSMB9CASP3CASP8 |
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-2261233-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |