Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016658 | 0.88 | PTPN11 (0.45) | CNR2PTPN11CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6016527 | 0.88 | HTT (0.46) | CNR2PTPN11PIK3CACYP1A2CYP3A4 | |
| SCHEMBL7987933 | 0.86 | TP53 (0.43) | CNR2PTPN11PIK3CACYP1A2CYP3A4 | |
| SCHEMBL2954462 | 0.86 | PTPN11 (0.52) | CNR2PTPN11MAPK14PIK3CACYP1A2 | |
| SCHEMBL8267775 | 0.86 | PKM (0.52) | CNR2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6016444 | 0.85 | HTR7 (0.41) | PTPN11CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Morpholine SCHEMBL6016373 | 0.80 | PIK3CA (0.47) | CNR2PTPN11MAPK14PIK3CACYP1A2 | |
| SCHEMBL8946447 | 0.75 | ALDH1A1 (0.54) | CNR2PTPN11MAPTALDH1A1KDM4E | |
| SCHEMBL30263192 | 0.75 | CYP1A1 (0.52) | CNR2PTPN11PIK3CARAB9AHTR2C | |
| SCHEMBL2957864 | 0.75 | THRB (0.48) | CNR2PTPN11MAPK14PIK3CACYP1A2 |
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 |