Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 6/20 | 0.46 |
| ▸ | CCKBR | P32239 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | 0.92 | MMP3 (0.44) | CTNNB1MMP3CASP1 | |
| SCHEMBL7414032 | 0.89 | CASP1 (0.47) | CTNNB1MMP3CASP1 | |
| SCHEMBL7403974 | 0.88 | MEN1 (0.41) | CTNNB1MMP3CASP1LMNA | |
| SCHEMBL7414049 | 0.88 | CASP1 (0.40) | CTNNB1TSHRMMP3CASP1 | |
| SCHEMBL7411011 | 0.88 | MMP3 (0.53) | CTNNB1MMP3CASP1 | |
| SCHEMBL7412858 | 0.86 | CASP1 (0.40) | CTNNB1MMP3CASP1 | |
| SCHEMBL7411007 | 0.86 | CASP1 (0.45) | CTNNB1TSHRMMP3CASP1ALDH1A1 | |
| SCHEMBL7406317 | 0.86 | MMP3 (0.48) | CTNNB1MMP3CASP1 | |
| SCHEMBL7406513 | 0.86 | MMP1 (0.42) | CTNNB1TSHRALDH1A1HDAC1LMNA | |
| SCHEMBL7410916 | 0.86 | MMP3 (0.46) | CTNNB1MMP3CASP1 |
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 |