Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 16/20 | 0.35 |
| ▸ | CASP8 | Q14790 | 11/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.32 |
| ▸ | XIAP | P98170 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL646744 | 0.79 | CASP1 (0.45) | CASP1CASP8CASP3XIAP | |
| SCHEMBL646053 | 0.77 | CASP1 (0.38) | CASP1CASP8CASP3XIAP | |
| SCHEMBL646054 | 0.73 | CASP1 (0.55) | CASP1CASP8CASP3XIAP | |
| SCHEMBL646090 | 0.71 | CASP1 (0.47) | CASP1CASP8CASP3 | |
| SCHEMBL647495 | 0.68 | CASP1 (0.40) | CASP1CASP8CASP3XIAP | |
| SCHEMBL647496 | 0.66 | CASP1 (0.53) | CASP1CASP8CASP3XIAP | |
| SCHEMBL10200558 | 0.66 | CASP1 (0.47) | CASP1CASP8CASP3XIAP | |
| SCHEMBL13139800 | 0.66 | CASP1 (0.47) | CASP1CASP8CASP3XIAP | |
| SCHEMBL644943 | 0.66 | CASP1 (0.47) | CASP1CASP8CASP3XIAP | |
| SCHEMBL645928 | 0.65 | CASP1 (0.55) | CASP1CASP8CASP3XIAP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6258948-B1 | AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES | VERTEX PHARMACEUTICALS, INCORPORATED | 2001-07-10 | — | — | US | disclosed |