Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 2/20 | 0.40 |
| ▸ | FNTB | P49356 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7404158 | 0.86 | NPY5R (0.43) | CASP1MITFALDH1A1POLBMAPK1 | |
| SCHEMBL7411938 | 0.84 | ALDH1A1 (0.41) | CASP1MITFALDH1A1POLBMAPK1 | |
| SCHEMBL7408148 | 0.84 | MMP3 (0.44) | CASP1CTSB | |
| SCHEMBL7411854 | 0.83 | CASP1 (0.42) | CASP1MITFALDH1A1POLBMAPK1 | |
| SCHEMBL7455195 | 0.83 | CASP1 (0.47) | CASP1MITFALDH1A1POLBMAPK1 | |
| SCHEMBL7452753 | 0.83 | MMP3 (0.47) | CASP1CTSB | |
| SCHEMBL7410711 | 0.82 | MMP8 (0.46) | CASP1CTSB | |
| SCHEMBL7414049 | 0.82 | CASP1 (0.40) | CASP1CTSBCTSK | |
| SCHEMBL7404374 | 0.82 | CASP1 (0.40) | CASP1MITFALDH1A1POLBMAPK1 | |
| SCHEMBL7412858 | 0.82 | CASP1 (0.40) | CASP1CTSBCASP3CASP6CASP8 |
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 |