Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 7/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6158338 | 0.91 | MME (0.44) | CASP3CASP1CASP8MMEACE | |
| SCHEMBL6162422 | 0.90 | CASP3 (0.41) | CASP3CASP1CASP8 | |
| SCHEMBL6158332 | 0.81 | MME (0.42) | CASP3CASP1CASP8MMEACE | |
| SCHEMBL6158934 | 0.75 | MME (0.44) | CASP3CASP1CASP8MMEACE | |
| SCHEMBL6159979 | 0.73 | PLA2G10 (0.44) | AADAT | |
| SCHEMBL6159297 | 0.71 | MME (0.40) | CASP3CASP1CASP8MMEACE | |
| SCHEMBL12914558 | 0.68 | CASP3 (0.48) | CASP3CASP1CASP8 | |
| SCHEMBL645592 | 0.67 | CASP1 (0.49) | CASP3CASP1CASP8 | |
| SCHEMBL4450493 | 0.67 | CASP1 (0.39) | CASP3CASP1CASP8 | |
| SCHEMBL1415251 | 0.67 | CASP1 (0.61) | CASP3CASP1CASP8MMEACE |
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 |