Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.42 |
| ▸ | CASP3 | P42574 | 4/20 | 0.42 |
| ▸ | IL1B | P01584 | 2/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 7/20 | 0.34 |
| ▸ | GZMB | P10144 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 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 | |
|---|---|---|---|---|
| SCHEMBL647407 | 0.89 | CASP1 (0.44) | CASP1CASP3IL1BMMEACE | |
| SCHEMBL645919 | 0.89 | CASP1 (0.44) | CASP1CASP3IL1BMMEACE | |
| SCHEMBL10200732 | 0.85 | CASP1 (0.47) | CASP1CASP3IL1BMMEACE | |
| SCHEMBL10199394 | 0.84 | CASP1 (0.43) | CASP1CASP3IL1BGZMBCASP8 | |
| SCHEMBL10251411 | 0.84 | CASP1 (0.43) | CASP1CASP3IL1BGZMBCASP8 | |
| SCHEMBL7735511 | 0.81 | CASP1 (0.37) | CASP1CASP3IL1BLCKCASP8 | |
| SCHEMBL646048 | 0.75 | CASP1 (0.45) | CASP1CASP3IL1BMMEACE | |
| SCHEMBL645261 | 0.71 | CASP1 (0.59) | CASP1CASP3IL1BMMEACE | |
| SCHEMBL648084 | 0.71 | CASP1 (0.59) | CASP1CASP3IL1BMMEACE | |
| SCHEMBL644683 | 0.70 | CASP1 (0.41) | CASP1CASP3IL1BMMEACE |
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-2123665-A2 | Inhibitors of interleukin-1Beta converting enzyme | Vertex Pharmaceuticals Incorporated (US) | 2009-11-25 | — | — | EP | disclosed |