Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 5/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ARHGDIA | P52565 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4989667 | 0.85 | MET (0.63) | METROCK2TRPA1SLC6A2SLC6A4 | |
| SCHEMBL1583361 | 0.80 | MET (0.80) | METROCK2TRPA1ROCK1POLB | |
| SCHEMBL4992204 | 0.80 | MET (0.56) | METROCK2TRPA1SLC6A2SLC6A4 | |
| SCHEMBL4995268 | 0.80 | MET (0.56) | METROCK2TRPA1SLC6A2SLC6A4 | |
| SCHEMBL2015321 | 0.79 | MET (0.44) | METPOLBMAPK1SMN1; SMN2KDM4E | |
| SCHEMBL13685509 | 0.79 | MET (0.44) | METROCK2KDM4EALDH1A1MAPT | |
| SCHEMBL2017154 | 0.78 | MET (0.53) | METROCK2TRPA1SLC6A2SLC6A4 | |
| SCHEMBL13685513 | 0.78 | MET (0.54) | METROCK2TRPA1SLC6A2SLC6A4 | |
| SCHEMBL2013113 | 0.75 | MET (0.63) | METROCK2TRPA1SLC6A2SLC6A4 | |
| SCHEMBL2008858 | 0.75 | MET (0.51) | METROCK2SLC6A2SLC6A4SLC6A3 |
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-2121608-B1 | DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | BAYER IP GMBH (DE) | 2012-11-14 | — | — | EP | disclosed |