Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 20/20 | 0.49 |
| ▸ | CASP6 | P55212 | 15/20 | 0.49 |
| ▸ | CASP8 | Q14790 | 15/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406976 | 0.93 | CASP3 (0.45) | CASP3CASP6CASP8 | |
| SCHEMBL7404112 | 0.92 | CASP3 (0.48) | CASP3CASP6CASP8 | |
| SCHEMBL7403799 | 0.92 | CASP3 (0.49) | CASP3CASP6CASP8 | |
| SCHEMBL7408942 | 0.92 | CASP3 (0.49) | CASP3CASP6CASP8 | |
| SCHEMBL7404243 | 0.91 | CASP3 (0.46) | CASP3CASP6CASP8 | |
| SCHEMBL7411060 | 0.91 | CASP3 (0.47) | CASP3CASP6CASP8 | |
| SCHEMBL7402816 | 0.91 | CASP3 (0.48) | CASP3CASP6CASP8 | |
| SCHEMBL7454955 | 0.91 | CASP3 (0.50) | CASP3CASP6CASP8 | |
| SCHEMBL7412017 | 0.90 | CASP3 (0.48) | CASP3CASP6CASP8 | |
| SCHEMBL7409749 | 0.90 | CASP3 (0.47) | CASP3CASP6CASP8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | disclosed |