Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 9/20 | 0.77 |
| ▸ | IL1B | P01584 | 2/20 | 0.62 |
| ▸ | MME | P08473 | 2/20 | 0.51 |
| ▸ | ACE | P12821 | 2/20 | 0.51 |
| ▸ | LCK | P06239 | 9/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10200454 | 0.87 | CASP1 (0.87) | CASP1IL1BMMEACELCK | |
| SCHEMBL645750 | 0.87 | CASP1 (1.00) | CASP1IL1BMMEACELCK | |
| SCHEMBL2218994 | 0.87 | CASP1 (1.00) | CASP1IL1BMMEACELCK | |
| SCHEMBL8248977 | 0.87 | CASP1 (1.00) | CASP1IL1BMMEACELCK | |
| SCHEMBL8244434 | 0.87 | CASP1 (0.84) | CASP1IL1BMMEACELCK | |
| SCHEMBL13776505 | 0.87 | CASP1 (0.64) | CASP1IL1BMMEACELCK | |
| SCHEMBL14070414 | 0.86 | CASP1 (0.66) | CASP1IL1BMMEACELCK | |
| SCHEMBL644942 | 0.85 | CASP1 (0.84) | CASP1IL1BMMEACELCK | |
| SCHEMBL645791 | 0.85 | CASP1 (0.84) | CASP1IL1BMMEACELCK | |
| SCHEMBL646783 | 0.85 | CASP1 (0.84) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2083014-A2 | Inhibitors of interleukin-1ß converting enzyme | Vertex Pharmceuticals Incorporated (US) | 2009-07-29 | — | — | EP | disclosed |