Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.59 |
| ▸ | MMP8 | P22894 | 7/20 | 0.54 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7410635 | 0.94 | MMP8 (0.59) | CASP1MMP8CAPN1MMP3MMP9 | |
| SCHEMBL7407874 | 0.89 | MMP8 (0.67) | CASP1MMP8CAPN1MMP9CTSB | |
| SCHEMBL7401512 | 0.85 | PLA2G10 (0.43) | CASP1MMP8MMP3MMP9 | |
| SCHEMBL7404387 | 0.83 | MMP8 (0.55) | CASP1MMP8MMP3MMP9CTSB | |
| SCHEMBL7411011 | 0.82 | MMP3 (0.53) | CASP1MMP8CAPN1MMP3MMP9 | |
| SCHEMBL7408402 | 0.82 | MMP8 (0.47) | CASP1MMP8CAPN1MMP3CTSB | |
| SCHEMBL7406669 | 0.81 | MMP3 (0.51) | CASP1MMP8CAPN1MMP3CTSB | |
| SCHEMBL7408868 | 0.81 | MMP8 (0.41) | CASP1MMP8CTSB | |
| SCHEMBL7406317 | 0.79 | MMP3 (0.48) | CASP1MMP8MMP3MMP9CTSB | |
| SCHEMBL7408170 | 0.78 | CASP1 (0.47) | CASP1MMP8CAPN1MMP3MMP9 |
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 |