Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 11/20 | 0.46 |
| ▸ | IL1B | P01584 | 3/20 | 0.42 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | GZMB | P10144 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6158713 | 0.92 | CASP1 (0.44) | CASP1IL1BMMEACEGZMB | |
| SCHEMBL7358198 | 0.91 | CASP1 (0.45) | CASP1IL1BMMEACEGZMB | |
| SCHEMBL6158985 | 0.84 | CASP1 (0.46) | CASP1IL1BMMEACEGZMB | |
| SCHEMBL6160332 | 0.83 | CASP1 (0.43) | CASP1IL1BGZMBCASP3 | |
| SCHEMBL645695 | 0.77 | CASP1 (0.78) | CASP1IL1BMMEACE | |
| SCHEMBL6401041 | 0.77 | CASP1 (0.78) | CASP1IL1BMMEACE | |
| SCHEMBL7349351 | 0.77 | CASP1 (0.78) | CASP1IL1BMMEACE | |
| SCHEMBL13140298 | 0.74 | XIAP (0.41) | CASP1 | |
| SCHEMBL10201734 | 0.74 | XIAP (0.41) | CASP1 | |
| SCHEMBL10201741 | 0.72 | CASP1 (0.42) | CASP1 |
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 4 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 |
| 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 |