Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 6/20 | 0.53 |
| ▸ | CASP3 | P42574 | 2/20 | 0.53 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.53 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 10/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10262665 | 1.00 | CASP1 (0.53) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL12522494 | 1.00 | CASP1 (0.53) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL10252183 | 0.92 | CASP1 (0.52) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL12450751 | 0.92 | CASP1 (0.52) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL10200737 | 0.92 | CASP1 (0.52) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL1414605 | 0.84 | CASP1 (0.60) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL644997 | 0.84 | CASP1 (0.60) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL1409707 | 0.84 | CASP1 (0.60) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL10262593 | 0.80 | CASP1 (0.61) | CASP1CASP3CASP8MMEACE | |
| SCHEMBL647366 | 0.80 | CASP1 (0.49) | CASP1CASP3CASP8MMEACE |
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-8119631-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |