Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 3/20 | 0.55 |
| ▸ | ACE | P12821 | 3/20 | 0.55 |
| ▸ | RIPK1 | Q13546 | 11/20 | 0.49 |
| ▸ | XIAP | P98170 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5713036 | 0.88 | MME (0.49) | MMEACERIPK1XIAPCASP1 | |
| SCHEMBL5712978 | 0.82 | CASP1 (0.46) | CASP1CASP8 | |
| SCHEMBL8521265 | 0.82 | CASP1 (0.46) | CASP1CASP8 | |
| SCHEMBL5712985 | 0.78 | CASP1 (0.48) | RIPK1XIAPCASP1 | |
| SCHEMBL10710600 | 0.73 | ACE (0.66) | MMEACERIPK1XIAP | |
| SCHEMBL10710592 | 0.73 | ACE (0.66) | MMEACERIPK1XIAP | |
| SCHEMBL7876213 | 0.73 | ACE (0.61) | MMEACERIPK1XIAP | |
| SCHEMBL7876214 | 0.73 | ACE (0.61) | MMEACERIPK1XIAP | |
| SCHEMBL30494489 | 0.73 | ACE (0.61) | MMEACERIPK1XIAP | |
| SCHEMBL8520881 | 0.71 | CASP1 (0.46) | CASP1CASP8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0942925-B1 | INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME | VERTEX PHARMA (US) | 2006-11-22 | — | — | EP | disclosed |
| EP-1466921-A1 | Inhibitors of interleukin-1 beta converting enzyme | Vertex Pharmaceuticals Incorporated (US) | 2004-10-13 | — | — | EP | disclosed |
| US-6350741-B1 | 1-BENZAZEPINE DERIVATIVES; ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS; BONE AND AUTOIMMUNE DISORDER TREATMENT | VERTEX PHARMACEUTICAL, INC. | 2002-02-26 | — | — | US | disclosed |