Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | PAICS | P22234 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016492 | 0.90 | PAICS (0.41) | CDC7DBF4PAICSKDM4EALDH1A1 | |
| Dimethylaminoethanol SCHEMBL6016393 | 0.86 | PAICS (0.39) | CDC7DBF4PAICSKDM4EALDH1A1 | |
| SCHEMBL6016530 | 0.85 | MAPK14 (0.47) | KDM4EALDH1A1HSD17B10MAPK14 | |
| SCHEMBL6016620 | 0.85 | ACHE (0.36) | CDC7DBF4PAICSKDM4EALDH1A1 | |
| SCHEMBL7704154 | 0.85 | KDM4E (0.40) | CDC7DBF4PAICSKDM4EALDH1A1 | |
| SCHEMBL6016339 | 0.78 | CHRM2 (0.43) | KDM4EALDH1A1HSD17B10MAPK1KMT2A | |
| SCHEMBL6016618 | 0.78 | MEN1 (0.35) | CDC7DBF4PAICSKDM4EALDH1A1 | |
| SCHEMBL6016307 | 0.78 | ALDH1A1 (0.43) | ALDH1A1ADORA2AADORA1GAAMAPK14 | |
| SCHEMBL6877133 | 0.75 | ALDH1A1 (0.42) | KDM4EALDH1A1HSD17B10HRH3MEN1 | |
| SCHEMBL6016572 | 0.75 | MAPK14 (0.48) | PAICSKDM4EALDH1A1GAAMAPK1 |
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 |