Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016503 | 0.91 | KDM4E (0.41) | KDM4EALDH1A1SMN1; SMN2HRH1HRH3 | |
| SCHEMBL6016703 | 0.90 | MAPK14 (0.39) | KDM4EALDH1A1ATM | |
| SCHEMBL6016394 | 0.86 | KDM4E (0.43) | KDM4EALDH1A1SMN1; SMN2HRH1 | |
| SCHEMBL6016513 | 0.85 | ACHE (0.39) | KDM4EALDH1A1SMN1; SMN2HSP90AA1ATM | |
| Dimethylaminoethanol SCHEMBL6016335 | 0.84 | ALDH1A1 (0.43) | KDM4EALDH1A1SMN1; SMN2HRH1 | |
| SCHEMBL6016618 | 0.81 | MEN1 (0.35) | KDM4EALDH1A1SMN1; SMN2HSP90AA1ATM | |
| SCHEMBL6016402 | 0.80 | MAPK14 (0.43) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6016487 | 0.78 | MEN1 (0.46) | KDM4EALDH1A1SMN1; SMN2HRH3TOP2A | |
| SCHEMBL6016339 | 0.76 | CHRM2 (0.43) | KDM4EALDH1A1SMN1; SMN2ATM | |
| SCHEMBL6862168 | 0.75 | KDM4E (0.42) | KDM4EALDH1A1SMN1; SMN2HRH1HRH3 |
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-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| EP-1187815-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |
| WO-2000073279-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |