Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 5/20 | 0.34 |
| ▸ | CASP1 | P29466 | 4/20 | 0.32 |
| ▸ | CASP3 | P42574 | 4/20 | 0.32 |
| ▸ | CASP7 | P55210 | 4/20 | 0.32 |
| ▸ | CASP6 | P55212 | 4/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 4/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL949088 | 0.93 | CASP1 (0.35) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL952741 | 0.93 | PDE2A (0.37) | PDE2AMMP2 | |
| SCHEMBL949112 | 0.86 | CASP1 (0.35) | PDE2ACASP1CASP3CASP7CASP6 | |
| SCHEMBL952739 | 0.82 | PDE2A (0.40) | PDE2ACASP1CASP3CASP7CASP6 | |
| SCHEMBL949086 | 0.81 | CASP3 (0.39) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL950252 | 0.81 | CASP1 (0.35) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL949260 | 0.78 | NAAA (0.34) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL948261 | 0.76 | CASP3 (0.35) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL948808 | 0.75 | CASP3 (0.38) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL949530 | 0.74 | CASP3 (0.38) | CASP1CASP3CASP7CASP6CASP8 |
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 |