Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | XIAP | P98170 | 4/20 | 0.52 |
| ▸ | ACE | P12821 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3063918 | 1.00 | CASP1 (0.71) | CASP1CYP3A4XIAPACE | |
| SCHEMBL644745 | 0.90 | CASP1 (0.67) | CASP1CYP3A4XIAP | |
| SCHEMBL12831227 | 0.90 | CASP1 (0.72) | CASP1CYP3A4XIAP | |
| SCHEMBL645652 | 0.90 | CASP1 (0.60) | CASP1CYP3A4XIAPACE | |
| SCHEMBL645651 | 0.90 | CASP1 (0.60) | CASP1CYP3A4XIAPACE | |
| SCHEMBL12994842 | 0.87 | CASP1 (0.65) | CASP1CYP3A4XIAP | |
| SCHEMBL10284729 | 0.85 | CASP1 (0.60) | CASP1CYP3A4XIAP | |
| SCHEMBL646012 | 0.85 | CASP1 (0.63) | CASP1CYP3A4XIAP | |
| SCHEMBL646010 | 0.85 | CASP1 (0.63) | CASP1CYP3A4XIAP | |
| SCHEMBL12994889 | 0.84 | CASP1 (0.64) | CASP1CYP3A4XIAP |
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-6204261-B1 | Inhibitors of interleukin-1β Converting enzyme inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2001-03-20 | — | — | US | disclosed |