Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | INSR | P06213 | 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 | |
|---|---|---|---|---|
| SCHEMBL30159472 | 0.84 | KDM4E (0.61) | ROCK2ALDH1A1HPGDPARP1MAPK14 | |
| SCHEMBL1145075 | 0.84 | KDM4E (0.61) | ROCK2ALDH1A1HPGDPARP1MAPK14 | |
| SCHEMBL30159669 | 0.82 | KDM4E (0.48) | ROCK2ALDH1A1HPGDPARP1MAPK14 | |
| SCHEMBL12647234 | 0.82 | MAPK14 (0.44) | ROCK2ALDH1A1HPGDMAPTPARP1 | |
| SCHEMBL12663938 | 0.82 | MAPK14 (0.44) | SLC2A1ROCK2ALDH1A1HPGDPARP1 | |
| SCHEMBL2116289 | 0.82 | KDM4E (0.48) | ROCK2ALDH1A1HPGDPARP1MAPK14 | |
| SCHEMBL2118663 | 0.80 | MAPK14 (0.50) | ROCK2PARP1MAPK14CHEK1 | |
| SCHEMBL4856004 | 0.78 | ROCK2 (0.43) | SLC2A1ROCK2ALDH1A1HPGDPARP1 | |
| SCHEMBL121922 | 0.77 | ALDH1A1 (0.70) | ALDH1A1HPGDMAPTMAOACYP2A6 | |
| SCHEMBL1038250 | 0.74 | PARP1 (0.53) | ROCK2ALDH1A1HPGDPARP1MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2947082-A1 | N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS | Pfizer Inc (US) | 2015-11-25 | — | — | EP | disclosed |