Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | PAICS | P22234 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6872471 | 0.94 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2TDO2 | |
| SCHEMBL6870940 | 0.86 | KDM4E (0.41) | KDM4EALDH1A1SMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL6868900 | 0.84 | TDO2 (0.39) | KDM4EALDH1A1SMN1; SMN2TDO2ADORA2A | |
| SCHEMBL6862801 | 0.83 | KDM4E (0.53) | KDM4EALDH1A1SMN1; SMN2PAICS | |
| Dimethylaminoethanol SCHEMBL6871396 | 0.82 | ALDH1A1 (0.49) | KDM4EALDH1A1SMN1; SMN2HTR7PAICS | |
| SCHEMBL6861974 | 0.79 | HTR7 (0.56) | KDM4EALDH1A1SMN1; SMN2HTR7 | |
| SCHEMBL6868447 | 0.79 | KDM4E (0.41) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6866620 | 0.79 | ALDH1A1 (0.44) | KDM4EALDH1A1SMN1; SMN2HTR7RXRA | |
| Dimethylaminoethanol SCHEMBL6869363 | 0.78 | HTR7 (0.52) | KDM4EALDH1A1SMN1; SMN2HTR7 | |
| SCHEMBL6862736 | 0.78 | KDM4E (0.43) | KDM4EALDH1A1SMN1; SMN2HTR7PAICS |
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 4 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 | 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 |