Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4126042 | 0.94 | PTPN11 (0.52) | PTPN11HTTTACR1POLBMAPT | |
| SCHEMBL4123893 | 0.89 | TACR1 (0.47) | TACR1ALDH1A1CYP1A2CYP2C19CYP3A4 | |
| Piperazine SCHEMBL6016563 | 0.88 | TACR1 (0.47) | TACR1ALDH1A1CYP1A2CYP2C19CYP3A4 | |
| Morpholine SCHEMBL6016655 | 0.88 | PTPN11 (0.47) | PTPN11POLBMAPTALDH1A1KDM4E | |
| Morpholine SCHEMBL6016373 | 0.88 | PIK3CA (0.47) | PTPN11POLBMAPTALDH1A1KDM4E | |
| Methylpiperazine SCHEMBL6016369 | 0.84 | TACR1 (0.54) | TACR1MAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4130476 | 0.82 | TACR1 (0.59) | TACR1MAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4133710 | 0.81 | PTPN11 (0.52) | PTPN11POLBMAPTALDH1A1KDM4E | |
| SCHEMBL2954462 | 0.81 | PTPN11 (0.52) | PTPN11POLBMAPTALDH1A1KDM4E | |
| SCHEMBL2948308 | 0.81 | PTPN11 (0.52) | PTPN11POLBALDH1A1KDM4ECYP1A2 |
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 |