Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 9/20 | 0.80 |
| ▸ | IL1B | P01584 | 2/20 | 0.73 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 9/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL644905 | 1.00 | CASP1 (0.80) | CASP1IL1BITGB1ITGA4MME | |
| SCHEMBL1416763 | 1.00 | CASP1 (0.80) | CASP1IL1BITGB1ITGA4MME | |
| SCHEMBL10200446 | 0.93 | CASP1 (0.69) | CASP1IL1BMMEACELCK | |
| SCHEMBL10199423 | 0.92 | CASP1 (0.84) | CASP1IL1BMMEACELCK | |
| SCHEMBL6401041 | 0.92 | CASP1 (0.78) | CASP1IL1BMMEACELCK | |
| SCHEMBL7349351 | 0.92 | CASP1 (0.78) | CASP1IL1BMMEACELCK | |
| SCHEMBL645695 | 0.92 | CASP1 (0.78) | CASP1IL1BMMEACELCK | |
| SCHEMBL10199731 | 0.92 | CASP1 (0.86) | CASP1IL1BMMEACELCK | |
| SCHEMBL10199648 | 0.91 | CASP1 (0.77) | CASP1IL1BMMEACELCK | |
| SCHEMBL10199448 | 0.90 | CASP1 (0.79) | CASP1IL1BMMEACELCK |
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 |