Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 10/20 | 0.53 |
| ▸ | IL1B | P01584 | 4/20 | 0.47 |
| ▸ | XIAP | P98170 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12914484 | 0.93 | CASP1 (0.52) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL646010 | 0.93 | CASP1 (0.63) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL646012 | 0.93 | CASP1 (0.63) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL10247704 | 0.91 | CASP1 (0.49) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL10199246 | 0.91 | CASP1 (0.49) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL650470 | 0.89 | CASP1 (0.50) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL647991 | 0.88 | CASP1 (0.50) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL647990 | 0.88 | CASP1 (0.50) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL647989 | 0.88 | CASP1 (0.50) | CASP1IL1BXIAPCYP3A4 | |
| SCHEMBL10249689 | 0.86 | CASP1 (0.61) | 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 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 |