Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.64 |
| ▸ | CASP3 | P42574 | 2/20 | 0.64 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.64 |
| ▸ | IL1B | P01584 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 11/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2218023 | 1.00 | CASP1 (0.64) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL647497 | 0.93 | CASP1 (0.64) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL26236638 | 0.93 | CASP1 (0.64) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL10200022 | 0.92 | CASP1 (0.63) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL10200215 | 0.92 | CASP1 (0.66) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL645040 | 0.91 | CASP1 (0.59) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL645868 | 0.89 | CASP1 (0.63) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL646848 | 0.88 | CASP1 (0.67) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL647554 | 0.87 | CASP1 (0.61) | CASP1CASP3CASP8IL1BLCK | |
| SCHEMBL646123 | 0.87 | CASP1 (0.74) | CASP1CASP3CASP8IL1BLCK |
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 |