Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.46 |
| ▸ | CASP3 | P42574 | 12/20 | 0.42 |
| ▸ | CASP6 | P55212 | 11/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 11/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL311567 | 0.92 | CASP3 (0.50) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL7478310 | 0.86 | ADRB2 (0.38) | CASP1 | |
| SCHEMBL311790 | 0.81 | CASP3 (0.62) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL10044272 | 0.81 | CASP3 (0.62) | CASP1CASP3CASP6CASP8 | |
| Trifluoroacetic Acid SCHEMBL313896 | 0.79 | CASP3 (0.57) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL311815 | 0.77 | CASP3 (0.36) | CASP1CASP3CASP6CASP8 | |
| SCHEMBL8324446 | 0.71 | CASP1 (0.45) | CASP1CASP3CASP8 | |
| SCHEMBL12046949 | 0.71 | CASP1 (0.45) | CASP1CASP3CASP8 | |
| SCHEMBL12046721 | 0.70 | CASP1 (0.46) | CASP1CASP3 | |
| SCHEMBL12046964 | 0.70 | CASP1 (0.46) | CASP1CASP3 |
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-1244626-A2 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001042216-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-06-14 | — | — | WO | disclosed |