Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 11/20 | 0.48 |
| ▸ | CASP3 | P42574 | 5/20 | 0.48 |
| ▸ | CASP8 | Q14790 | 4/20 | 0.48 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | IL1B | P01584 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10200199 | 1.00 | CASP1 (0.48) | CASP1CASP3CASP8KLK7MME | |
| SCHEMBL10247719 | 0.96 | CASP1 (0.49) | CASP1CASP3CASP8KLK7MME | |
| SCHEMBL13139576 | 0.96 | CASP1 (0.49) | CASP1CASP3CASP8KLK7MME | |
| SCHEMBL10199598 | 0.96 | CASP1 (0.49) | CASP1CASP3CASP8KLK7MME | |
| SCHEMBL10200191 | 0.94 | CASP1 (0.48) | CASP1CASP3CASP8KLK7MME | |
| SCHEMBL10263258 | 0.93 | CASP1 (0.47) | CASP1CASP3CASP8KLK7IL1B | |
| SCHEMBL10200200 | 0.90 | CASP1 (0.45) | CASP1CASP3CASP8KLK7 | |
| SCHEMBL10200192 | 0.89 | CASP1 (0.48) | CASP1CASP3CASP8KLK7MME | |
| SCHEMBL13139865 | 0.88 | CASP1 (0.49) | CASP1CASP3CASP8KLK7MME | |
| SCHEMBL10200193 | 0.87 | CASP1 (0.47) | CASP1CASP3CASP8KLK7MME |
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-7790713-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-09-07 | — | — | US | disclosed |