Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 18/20 | 0.49 |
| ▸ | CASP6 | P55212 | 16/20 | 0.49 |
| ▸ | CASP8 | Q14790 | 16/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL78931 | 1.00 | CASP3 (0.49) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL78932 | 1.00 | CASP3 (0.49) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL78930 | 1.00 | CASP3 (0.49) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL79918 | 0.91 | CASP1 (0.48) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL79919 | 0.91 | CASP1 (0.48) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL3579369 | 0.91 | CASP1 (0.48) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL79920 | 0.91 | CASP1 (0.48) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL3574565 | 0.90 | CASP3 (0.40) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL3574570 | 0.90 | CASP3 (0.40) | CASP3CASP6CASP8CASP7CASP1 | |
| SCHEMBL3574567 | 0.90 | CASP3 (0.40) | CASP3CASP6CASP8CASP7CASP1 |
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-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |