Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 9/20 | 0.36 |
| ▸ | IL1B | P01584 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 10/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2216912 | 1.00 | CASP1 (0.36) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL645660 | 0.91 | CASP1 (0.43) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL2223156 | 0.88 | CASP1 (0.52) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL7740043 | 0.87 | LCK (0.35) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL8412036 | 0.84 | CASP1 (0.38) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL1410039 | 0.84 | CASP1 (0.38) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL647783 | 0.79 | CASP1 (0.41) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL644683 | 0.79 | CASP1 (0.41) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL13139539 | 0.79 | CASP1 (0.41) | CASP1IL1BLCKCASP3CASP8 | |
| SCHEMBL646086 | 0.79 | CASP1 (0.60) | CASP1IL1BLCKCASP3CASP8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6008217-A | AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-12-28 | — | — | US | disclosed |