Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.45 |
| ▸ | MMP3 | P08254 | 5/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP10 | P09238 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IL1B | P01584 | 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 | |
|---|---|---|---|---|
| SCHEMBL7408170 | 0.92 | CASP1 (0.47) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7411011 | 0.90 | MMP3 (0.53) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7406317 | 0.88 | MMP3 (0.48) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7408148 | 0.87 | MMP3 (0.44) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7410634 | 0.86 | LMNA (0.43) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7411983 | 0.86 | CTNNB1 (0.46) | CASP1MMP3CTNNB1ALDH1A1TSHR | |
| SCHEMBL7411432 | 0.86 | CTSB (0.45) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7406669 | 0.83 | MMP3 (0.51) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7410916 | 0.82 | MMP3 (0.46) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7403974 | 0.82 | MEN1 (0.41) | CASP1MMP3CTNNB1MMP2MMP8 |
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 |