Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 11/20 | 0.52 |
| ▸ | IL1B | P01584 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 7/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12444043 | 1.00 | CASP1 (0.52) | CASP1IL1BXIAPCCKBRCYP3A4 | |
| SCHEMBL647286 | 1.00 | CASP1 (0.52) | CASP1IL1BXIAPCCKBRCYP3A4 | |
| SCHEMBL12443659 | 0.93 | CASP1 (0.45) | CASP1XIAPCYP3A4 | |
| SCHEMBL10251968 | 0.93 | CASP1 (0.45) | CASP1XIAPCYP3A4 | |
| SCHEMBL10200303 | 0.93 | CASP1 (0.45) | CASP1XIAPCYP3A4 | |
| SCHEMBL10199304 | 0.89 | CASP1 (0.53) | CASP1XIAPCYP3A4 | |
| SCHEMBL10201335 | 0.87 | CASP1 (0.52) | CASP1XIAPCYP3A4 | |
| SCHEMBL10263997 | 0.86 | CASP1 (0.52) | CASP1XIAPCYP3A4 | |
| SCHEMBL644733 | 0.85 | CASP1 (0.50) | CASP1XIAPCYP3A4 | |
| SCHEMBL10284695 | 0.85 | CASP1 (0.49) | CASP1XIAPCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119631-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |
| US-8119631-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |