Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 5/20 | 0.45 |
| ▸ | CAPN1 | P07384 | 4/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7411011 | 0.90 | MMP3 (0.53) | CTSBCAPN1CTNNB1MMP3GAA | |
| SCHEMBL7410916 | 0.87 | MMP3 (0.46) | CTSBCTNNB1MMP3SMN1; SMN2MMP8 | |
| SCHEMBL7408148 | 0.87 | MMP3 (0.44) | CTSBCTNNB1MMP3MMP8CASP1 | |
| SCHEMBL7406669 | 0.86 | MMP3 (0.51) | CTSBCAPN1CTNNB1MMP3MMP8 | |
| SCHEMBL7408170 | 0.86 | CASP1 (0.47) | CTSBCAPN1CTNNB1MMP3RAB9A | |
| SCHEMBL7406317 | 0.86 | MMP3 (0.48) | CTSBCTNNB1MMP3MMP8CASP1 | |
| SCHEMBL7411983 | 0.86 | CTNNB1 (0.46) | CTNNB1MMP3CASP1CCKBR | |
| SCHEMBL7411007 | 0.86 | CASP1 (0.45) | CTSBCTNNB1MMP3MMP8CASP1 | |
| SCHEMBL7414032 | 0.85 | CASP1 (0.47) | CTNNB1MMP3CASP1MMP2 | |
| SCHEMBL7411172 | 0.85 | CTNNB1 (0.49) | CTSBCTNNB1MMP3MMP8CASP1 |
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 |