Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 14/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 8/20 | 0.46 |
| ▸ | CCKBR | P32239 | 2/20 | 0.44 |
| ▸ | PYGL | P06737 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | CCKAR | P32238 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8521265 | 1.00 | CASP1 (0.46) | CASP1CASP8CCKBRPYGLRAB9A | |
| SCHEMBL8520881 | 0.88 | CASP1 (0.46) | CASP1CASP8CCKBRRAB9ACASP3 | |
| SCHEMBL6674788 | 0.88 | CASP1 (0.46) | CASP1CASP8CCKBRRAB9ACASP3 | |
| SCHEMBL5712969 | 0.82 | MME (0.55) | CASP1CASP8 | |
| SCHEMBL5712919 | 0.77 | CASP1 (0.46) | CASP1CASP8RAB9ACASP3 | |
| SCHEMBL5712995 | 0.74 | PYGL (0.44) | CCKBRPYGLCCKAR | |
| SCHEMBL5903434 | 0.72 | CASP1 (0.51) | CASP1CASP8RAB9ACASP3 | |
| SCHEMBL5903223 | 0.72 | CASP1 (0.51) | CASP1CASP8RAB9ACASP3 | |
| SCHEMBL5713036 | 0.71 | MME (0.49) | CASP1CASP8 | |
| SCHEMBL6159890 | 0.71 | CASP1 (0.52) | CASP1CASP8RAB9ACASP3 |
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 |