Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CASP4 | P49662 | 1/20 | 0.39 |
| ▸ | CASP5 | P51878 | 1/20 | 0.39 |
| ▸ | CASP9 | P55211 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.39 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | TASP1 | Q9H6P5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408148 | 0.94 | MMP3 (0.44) | CASP1CTSBCTNNB1MMP8MMP3 | |
| SCHEMBL7414049 | 0.92 | CASP1 (0.40) | CASP1CTSBCTNNB1MMP8MMP3 | |
| SCHEMBL7411854 | 0.90 | CASP1 (0.42) | CASP1CTSBCASP3CASP6CASP8 | |
| SCHEMBL7452753 | 0.89 | MMP3 (0.47) | CASP1CTSBMMP8MMP3 | |
| SCHEMBL7404374 | 0.89 | CASP1 (0.40) | CASP1CTSBCASP3CASP6CASP8 | |
| SCHEMBL7410711 | 0.88 | MMP8 (0.46) | CASP1CTSBMMP8MMP3 | |
| SCHEMBL7411983 | 0.86 | CTNNB1 (0.46) | CASP1CTNNB1MMP3 | |
| SCHEMBL7410916 | 0.86 | MMP3 (0.46) | CASP1CTSBCASP3CTNNB1MMP8 | |
| SCHEMBL7409752 | 0.86 | MMP3 (0.40) | CASP1CTSBCASP3CASP6CASP8 | |
| SCHEMBL7403974 | 0.85 | MEN1 (0.41) | CASP1CTSBCTNNB1MMP8MMP3 |
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 |