Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016375 | 0.88 | CNR2 (0.46) | PTPN11AOC3CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6016658 | 0.88 | PTPN11 (0.45) | HTTPTPN11AOC3CYP1A2CYP3A4 | |
| SCHEMBL4126042 | 0.86 | PTPN11 (0.52) | HTTPTPN11TACR1CYP1A2CYP3A4 | |
| SCHEMBL6016565 | 0.85 | TACR1 (0.44) | TACR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Morpholine SCHEMBL6016522 | 0.80 | PTPN11 (0.47) | HTTPTPN11TACR1CYP1A2CYP3A4 | |
| SCHEMBL7987933 | 0.78 | TP53 (0.43) | PTPN11AOC3CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2951241 | 0.78 | KDM4E (0.52) | AOC3CNR2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL8267775 | 0.78 | PKM (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL2960551 | 0.75 | KDM4E (0.58) | HTTCNR2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL4110255 | 0.74 | PIK3CA (0.52) | PTPN11CYP1A2CYP3A4CNR2KDM4E |
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 |