Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.51 |
| ▸ | CASP4 | P49662 | 1/20 | 0.51 |
| ▸ | CASP5 | P51878 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | CASP9 | P55211 | 1/20 | 0.51 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.51 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 3/20 | 0.41 |
| ▸ | FAP | Q12884 | 3/20 | 0.41 |
| ▸ | IL1B | P01584 | 2/20 | 0.39 |
| ▸ | ACE | P12821 | 6/20 | 0.38 |
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 4/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3471553 | 1.00 | CASP1 (0.51) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13928582 | 1.00 | CASP1 (0.51) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13951002 | 0.93 | CASP1 (0.47) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13928285 | 0.93 | CASP1 (0.47) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13018388 | 0.93 | CASP1 (0.47) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13928576 | 0.92 | CASP1 (0.54) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL3472323 | 0.92 | CASP1 (0.54) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13951084 | 0.91 | TAAR1 (0.51) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13928225 | 0.91 | TAAR1 (0.51) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13951089 | 0.91 | ITGB1 (0.50) | CASP1CASP4CASP5CASP7CASP9 |
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-7358273-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |