Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 12/20 | 0.52 |
| ▸ | CASP8 | Q14790 | 6/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159850 | 0.88 | CASP1 (0.47) | CASP1CASP8CASP3RAB9ACHRNB2 | |
| SCHEMBL6158230 | 0.86 | CASP1 (0.64) | CASP1CASP8CASP3MMEACE | |
| SCHEMBL6159334 | 0.77 | CASP1 (0.49) | CASP1CASP8CASP3MMEACE | |
| SCHEMBL7360318 | 0.76 | CASP1 (0.49) | CASP1CASP8CASP3MMEACE | |
| SCHEMBL6159729 | 0.76 | CASP1 (0.63) | CASP1CASP8CASP3MMEACE | |
| SCHEMBL7360315 | 0.75 | CASP1 (0.50) | CASP1CASP8CASP3RAB9ACHRNB2 | |
| SCHEMBL7355384 | 0.75 | CASP1 (0.48) | CASP1CASP8CASP3 | |
| SCHEMBL6296035 | 0.73 | CASP1 (0.72) | CASP1CASP8CASP3MMEACE | |
| SCHEMBL5903223 | 0.73 | CASP1 (0.51) | CASP1CASP8CASP3RAB9ACHRNB2 | |
| SCHEMBL5712978 | 0.71 | CASP1 (0.46) | CASP1CASP8CASP3RAB9A |
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 |