Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 10/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | IL1B | P01584 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12450477 | 0.86 | CASP1 (0.57) | CASP3CASP1CASP7CASP8IL1B | |
| SCHEMBL473286 | 0.67 | CASP1 (0.56) | CASP3CASP1CASP8IL1BELANE | |
| SCHEMBL473285 | 0.67 | CASP1 (0.56) | CASP3CASP1CASP8IL1BELANE | |
| SCHEMBL12946365 | 0.67 | CASP3 (0.46) | CASP3 | |
| SCHEMBL12946449 | 0.66 | CASP1 (0.51) | CASP3CASP1CASP7 | |
| SCHEMBL12450478 | 0.66 | CASP1 (0.58) | CASP3CASP1IL1BELANE | |
| SCHEMBL12450469 | 0.65 | CASP1 (0.58) | CASP3CASP1CASP7CASP8IL1B | |
| SCHEMBL12450525 | 0.64 | CASP3 (0.40) | CASP3CASP1IL1B | |
| SCHEMBL13637689 | 0.64 | CASP1 (0.42) | CASP3CASP1CASP8IL1B | |
| SCHEMBL473088 | 0.62 | CASP1 (0.55) | CASP3CASP1CASP7CASP8IL1B |
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 |