Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 18/20 | 0.63 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 6/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.43 |
| ▸ | IL1B | P01584 | 2/20 | 0.42 |
| ▸ | GZMB | P10144 | 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 | |
|---|---|---|---|---|
| SCHEMBL6158230 | 0.90 | CASP1 (0.64) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL7360318 | 0.86 | CASP1 (0.49) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL6159334 | 0.79 | CASP1 (0.49) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL6158713 | 0.78 | CASP1 (0.44) | CASP1MMEACECASP3IL1B | |
| Vrt-18858 SCHEMBL647044 | 0.77 | CASP1 (1.00) | CASP1MMEACECASP8CASP3 | |
| Vrt-18858 SCHEMBL30070800 | 0.77 | CASP1 (1.00) | CASP1MMEACECASP8CASP3 | |
| Vrt-18858 SCHEMBL646101 | 0.77 | CASP1 (1.00) | CASP1MMEACECASP8CASP3 | |
| SCHEMBL10199302 | 0.77 | CASP1 (0.54) | CASP1CASP8 | |
| SCHEMBL7360315 | 0.76 | CASP1 (0.50) | CASP1CASP8CASP3 | |
| SCHEMBL6159890 | 0.76 | CASP1 (0.52) | 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-B1 | 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS | VERTEX PHARMA (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6426413-B1 | SUCH AS (N-BENZYLOXYCARBONYL-HYDRAZINO)-ACETIC ACID TERT-BUTYL ESTER; FOR PREVENTING AND TREATING INTERLEUKIN-MEDIATED DISEASES, APOPTOSIS, AUTOIMMUNE DISEASES, BONE DISORDERS, PROLIFERATIVE DISORDERS, INFECTIONS, AND DEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS INCORPORATED | 2002-07-30 | — | — | US | disclosed |