Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 7/20 | 0.51 |
| ▸ | MMP3 | P08254 | 6/20 | 0.51 |
| ▸ | MMP1 | P03956 | 4/20 | 0.51 |
| ▸ | MMP2 | P08253 | 6/20 | 0.41 |
| ▸ | MMP8 | P22894 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL7454873 | 0.85 | CASP1 (0.36) | MMP9MMP3MMP1MMP8CTSS | |
| SCHEMBL7401512 | 0.81 | PLA2G10 (0.43) | MMP9MMP3MMP1MMP2MMP8 | |
| SCHEMBL7408868 | 0.80 | MMP8 (0.41) | MMP1MMP8 | |
| SCHEMBL7410635 | 0.77 | MMP8 (0.59) | MMP9MMP3MMP8CAPN1 | |
| SCHEMBL7404683 | 0.75 | CASP1 (0.59) | MMP9MMP3MMP8CAPN1 | |
| SCHEMBL7407874 | 0.74 | MMP8 (0.67) | MMP9MMP1MMP2MMP8CAPN1 | |
| SCHEMBL27560979 | 0.73 | MMP9 (0.52) | MMP9MMP3MMP1MMP2MMP8 | |
| SCHEMBL29946268 | 0.72 | TASP1 (0.51) | MMP3ALDH1A1 | |
| SCHEMBL7411011 | 0.72 | MMP3 (0.53) | MMP9MMP3MMP1MMP2MMP8 | |
| SCHEMBL7409973 | 0.72 | CPB2 (0.42) | MMP8CAPN1 |
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 |