Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 2/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.46 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.46 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.46 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.46 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.46 |
| ▸ | KMO | O15229 | 4/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016414 | 0.96 | PRKAB2 (0.47) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016307 | 0.88 | ALDH1A1 (0.43) | MKNK1HTR2AHTR2CALDH1A1MAPT | |
| SCHEMBL6016314 | 0.88 | MKNK1 (0.48) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL4111269 | 0.84 | MKNK1 (0.51) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6868466 | 0.80 | MAPK14 (0.43) | HTR2AHTR2CALDH1A1KDM4EADORA2A | |
| SCHEMBL6869576 | 0.77 | KDM4E (0.47) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016446 | 0.77 | PRKAB2 (0.52) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Dimethylaminoethanol SCHEMBL6016393 | 0.77 | PAICS (0.39) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016539 | 0.76 | KDM4E (0.53) | MKNK1ALDH1A1KDM4ETP53TSHR | |
| SCHEMBL6016492 | 0.76 | PAICS (0.41) | PRKAG1PRKAA1PRKAB1ALDH1A1KDM4E |
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 |