Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 13/20 | 0.46 |
| ▸ | CASP3 | P42574 | 4/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | ECE1 | P42892 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6802229 | 0.91 | CASP1 (0.46) | CASP1CASP3SIRT2SIRT1CTSL | |
| SCHEMBL6798489 | 0.80 | CASP1 (0.47) | CASP1CASP3MMEECE1 | |
| SCHEMBL7179653 | 0.73 | CASP1 (0.49) | CASP1CASP3MMEECE1 | |
| SCHEMBL6797163 | 0.73 | CASP3 (0.50) | CASP1CASP3MMEECE1 | |
| SCHEMBL6800922 | 0.72 | CASP1 (0.43) | CASP1CASP3 | |
| SCHEMBL14989128 | 0.71 | CASP1 (0.57) | CASP1SIRT2SIRT1CTSLCTSS | |
| SCHEMBL376886 | 0.70 | CASP1 (0.67) | CASP1MMEECE1 | |
| SCHEMBL554032 | 0.70 | CASP1 (0.67) | CASP1MMEECE1 | |
| SCHEMBL613386 | 0.70 | CASP1 (0.67) | CASP1MMEECE1 | |
| SCHEMBL8511225 | 0.70 | BRAF (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0623592-B1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | VERTEX PHARMA (US) | 2001-06-27 | — | — | EP | disclosed |
| EP-0623592-A1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | STERLING WINTHROP INC. (US) | 1994-11-09 | — | — | EP | disclosed |