Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 17/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 10/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL646096 | 0.87 | CASP1 (0.46) | CASP1CASP8CASP3DRD2DRD3 | |
| SCHEMBL5712985 | 0.86 | CASP1 (0.48) | CASP1 | |
| SCHEMBL646460 | 0.85 | CASP1 (0.45) | CASP1CASP8 | |
| SCHEMBL647010 | 0.83 | CASP1 (0.43) | CASP1CASP8DRD2DRD3 | |
| SCHEMBL7446425 | 0.80 | CASP1 (0.32) | CASP1 | |
| SCHEMBL648576 | 0.79 | CASP1 (0.42) | CASP1CASP8DRD2 | |
| SCHEMBL647046 | 0.79 | CASP1 (0.43) | CASP1CASP8CASP3 | |
| SCHEMBL644969 | 0.78 | CASP1 (0.42) | CASP1CASP8CASP3DRD2DRD3 | |
| SCHEMBL5712978 | 0.77 | CASP1 (0.46) | CASP1CASP8CASP3RAB9A | |
| SCHEMBL8521265 | 0.77 | CASP1 (0.46) | CASP1CASP8CASP3RAB9A |
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-0942925-B1 | INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME | VERTEX PHARMA (US) | 2006-11-22 | — | — | EP | disclosed |