Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 9/20 | 0.50 |
| ▸ | IL1B | P01584 | 4/20 | 0.47 |
| ▸ | XIAP | P98170 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13197094 | 0.93 | CASP1 (0.43) | CASP1IL1BXIAPRIPK1 | |
| SCHEMBL13776453 | 0.87 | CASP1 (0.46) | CASP1IL1BXIAPRIPK1 | |
| SCHEMBL646782 | 0.85 | ACE (0.46) | XIAPRIPK1 | |
| SCHEMBL4564577 | 0.85 | ACE (0.46) | XIAPRIPK1 | |
| SCHEMBL13139826 | 0.84 | ACE (0.53) | CASP1IL1BXIAP | |
| SCHEMBL10200770 | 0.84 | ACE (0.53) | CASP1IL1BXIAP | |
| SCHEMBL647990 | 0.83 | CASP1 (0.50) | CASP1IL1BXIAP | |
| SCHEMBL647991 | 0.83 | CASP1 (0.50) | CASP1IL1BXIAP | |
| SCHEMBL647989 | 0.83 | CASP1 (0.50) | CASP1IL1BXIAP | |
| SCHEMBL13637751 | 0.83 | CASP1 (0.53) | CASP1IL1BXIAP |
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 |