Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016407 | 0.88 | KDM4E (0.48) | PTGS2SMN1; SMN2CYP2D6CYP2C9ADORA2A | |
| SCHEMBL6016324 | 0.85 | CHRM5 (0.46) | PTGS2SLC2A1SMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL6016539 | 0.81 | KDM4E (0.53) | ADORA2AADORA1ALDH1A1KDM4ERAB9A | |
| SCHEMBL6016519 | 0.79 | PTPN11 (0.57) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL7707342 | 0.77 | TACR1 (0.56) | — | |
| SCHEMBL6016363 | 0.76 | LMNA (0.46) | SMN1; SMN2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL6016466 | 0.73 | CYP11B1 (0.51) | — | |
| SCHEMBL12923345 | 0.72 | CYP2C9 (0.51) | PTGS2SLC2A1SMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL6016399 | 0.72 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1KDM4ERAB9ALMNA | |
| SCHEMBL6016349 | 0.72 | NTRK1 (0.45) | SMN1; SMN2ALDH1A1KDM4ELMNAHTT |
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 6 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 |
| CN-1166643-C | 4-phenyl-pyrimidine derivatives | - | 2004-09-15 | — | — | CN | disclosed |
| CN-1353697-A | 4-phenyl-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2002-06-12 | — | — | CN | 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 |