Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 12/20 | 0.48 |
| ▸ | CASP3 | P42574 | 8/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.46 |
| ▸ | IL1B | P01584 | 1/20 | 0.45 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL487515 | 1.00 | CASP1 (0.48) | CASP1CASP3CASP7CASP8IL1B | |
| SCHEMBL487514 | 1.00 | CASP1 (0.48) | CASP1CASP3CASP7CASP8IL1B | |
| SCHEMBL487027 | 0.84 | CASP1 (0.53) | CASP1CASP3CASP7CASP8 | |
| SCHEMBL487028 | 0.84 | CASP1 (0.53) | CASP1CASP3CASP7CASP8 | |
| SCHEMBL14664268 | 0.84 | CASP1 (0.53) | CASP1CASP3CASP7CASP8 | |
| SCHEMBL473088 | 0.83 | CASP1 (0.55) | CASP1CASP3CASP7CASP8IL1B | |
| SCHEMBL473091 | 0.83 | CASP1 (0.55) | CASP1CASP3CASP7CASP8IL1B | |
| SCHEMBL473090 | 0.83 | CASP1 (0.55) | CASP1CASP3CASP7CASP8IL1B | |
| SCHEMBL487456 | 0.83 | CASP1 (0.51) | CASP1CASP3CASP7CASP8 | |
| SCHEMBL14664261 | 0.83 | CASP1 (0.51) | CASP1CASP3CASP7CASP8 |
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 |
|---|---|---|---|---|---|---|---|
| US-8362043-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-29 | — | — | US | disclosed |
| US-8362043-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-29 | — | — | US | disclosed |