Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | POLR1A | O95602 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016572 | 0.89 | MAPK14 (0.48) | MAPK14ALDH1A1KDM4ESMN1; SMN2DHODH | |
| SCHEMBL6016339 | 0.88 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6016397 | 0.85 | CDC7 (0.39) | MAPK14ALDH1A1KDM4EHSD17B10 | |
| Dimethylaminoethanol SCHEMBL6016528 | 0.85 | MAPK14 (0.46) | MAPK14ALDH1A1KDM4ESMN1; SMN2DHODH | |
| SCHEMBL6016704 | 0.84 | ACHE (0.39) | MAPK14ALDH1A1DHODH | |
| SCHEMBL6016402 | 0.83 | MAPK14 (0.43) | MAPK14ALDH1A1KDM4ESMN1; SMN2DHODH | |
| SCHEMBL3442751 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2DHODH | |
| SCHEMBL6862736 | 0.76 | KDM4E (0.43) | MAPK14ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6016394 | 0.76 | KDM4E (0.43) | MAPK14ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6016703 | 0.76 | MAPK14 (0.39) | MAPK14ALDH1A1KDM4EDHODH |
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 |