Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | PAICS | P22234 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6862500 | 0.94 | KDM4E (0.41) | KDM4EALDH1A1SMN1; SMN2SLC6A9MAPK14 | |
| SCHEMBL6866620 | 0.87 | ALDH1A1 (0.44) | KDM4EALDH1A1SMN1; SMN2SLC6A9HTR7 | |
| SCHEMBL6861974 | 0.85 | HTR7 (0.56) | KDM4EALDH1A1SMN1; SMN2SLC6A9HTR7 | |
| SCHEMBL6862186 | 0.85 | HTR1B (0.47) | KDM4EALDH1A1SMN1; SMN2SLC6A9HTR7 | |
| Dimethylaminoethanol SCHEMBL6866780 | 0.83 | ALDH1A1 (0.44) | KDM4EALDH1A1SMN1; SMN2SLC6A9HTR7 | |
| SCHEMBL6016572 | 0.83 | MAPK14 (0.48) | KDM4EALDH1A1SMN1; SMN2SLC6A9MAPK14 | |
| Dimethylaminoethanol SCHEMBL6868764 | 0.81 | HTR1B (0.43) | KDM4EALDH1A1SMN1; SMN2SLC6A9HTR7 | |
| Dimethylaminoethanol SCHEMBL6869363 | 0.81 | HTR7 (0.52) | KDM4EALDH1A1SMN1; SMN2SLC6A9HTR7 | |
| SCHEMBL6862168 | 0.81 | KDM4E (0.42) | KDM4EALDH1A1SMN1; SMN2SLC6A9 | |
| SCHEMBL6866800 | 0.81 | KMT2A (0.38) | ALDH1A1SMN1; SMN2SLC6A9MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | claimed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | claimed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | claimed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | claimed |
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |