Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.36 |
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 | 0.91 | MMP3 (0.44) | CASP1CTSBMMP8MMP3MMP9 | |
| SCHEMBL7452753 | 0.89 | MMP3 (0.47) | CASP1CTSBMMP8MMP3MMP1 | |
| SCHEMBL7412858 | 0.89 | CASP1 (0.40) | CASP1CTSBMMP8MMP3CASP3 | |
| SCHEMBL7414049 | 0.89 | CASP1 (0.40) | CASP1CTSBMMP8MMP3CTSK | |
| SCHEMBL7411854 | 0.86 | CASP1 (0.42) | CASP1CTSBMMP8MITFALDH1A1 | |
| SCHEMBL7410711 | 0.85 | MMP8 (0.46) | CASP1CTSBMMP8MMP3MMP9 | |
| SCHEMBL7404158 | 0.84 | NPY5R (0.43) | CASP1CTSBMITFALDH1A1POLB | |
| SCHEMBL7411983 | 0.83 | CTNNB1 (0.46) | CASP1ALDH1A1MMP3 | |
| SCHEMBL7410916 | 0.83 | MMP3 (0.46) | CASP1CTSBMMP8MMP3MMP1 | |
| SCHEMBL7409752 | 0.83 | MMP3 (0.40) | CASP1CTSBMMP8MMP3MMP9 |
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 |