Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 15/20 | 0.49 |
| ▸ | MME | P08473 | 2/20 | 0.46 |
| ▸ | ACE | P12821 | 2/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 9/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360315 | 0.91 | CASP1 (0.50) | CASP1CASP8CASP3XIAPCHRNB2 | |
| SCHEMBL6159729 | 0.86 | CASP1 (0.63) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL6159334 | 0.81 | CASP1 (0.49) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL6159890 | 0.76 | CASP1 (0.52) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL6158230 | 0.76 | CASP1 (0.64) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL7355384 | 0.73 | CASP1 (0.48) | CASP1CASP8CASP3 | |
| SCHEMBL6159850 | 0.72 | CASP1 (0.47) | CASP1CASP8CASP3CHRNB2CHRNA7 | |
| SCHEMBL6296035 | 0.69 | CASP1 (0.72) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL8284807 | 0.68 | CASP1 (0.79) | CASP1MMEACECASP8CASP3 | |
| Vrt-18858 SCHEMBL646101 | 0.66 | CASP1 (1.00) | CASP1MMEACECASP8CASP3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1062210-A1 | 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999046248-A1 | 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-09-16 | — | — | WO | disclosed |