Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 5/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | MMP10 | P09238 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | MMP12 | P39900 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 7/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7410929 | 0.98 | CASP3 (0.45) | CASP3MMP2MMP3MMP10MMP9 | |
| SCHEMBL7508772 | 0.97 | CASP3 (0.47) | CASP3MMP2MMP3MMP10MMP9 | |
| SCHEMBL7403799 | 0.87 | CASP3 (0.49) | CASP3CASP9CASP6CASP8 | |
| SCHEMBL7406759 | 0.86 | MMP2 (0.41) | MMP2MMP3MMP10MMP9MMP8 | |
| SCHEMBL7408851 | 0.85 | MMP2 (0.41) | MMP2MMP3MMP10MMP9MMP8 | |
| SCHEMBL7409694 | 0.83 | MMP2 (0.42) | MMP2MMP3MMP10MMP9MMP8 | |
| SCHEMBL7406574 | 0.82 | CASP3 (0.52) | CASP3MMP2MMP3MMP9MMP8 | |
| SCHEMBL7404112 | 0.81 | CASP3 (0.48) | CASP3CASP6CASP8 | |
| SCHEMBL7412017 | 0.81 | CASP3 (0.48) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL7408942 | 0.81 | CASP3 (0.49) | CASP3CASP9CASP6CASP8 |
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 |