Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MDM4 | O15151 | 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 | 0.91 | PRKAB2 (0.47) | ALDH1A1MKNK1HTR2AHTR2CADORA2A | |
| SCHEMBL6016306 | 0.88 | PRKAB2 (0.46) | ALDH1A1MKNK1HTR2AHTR2CADORA2A | |
| SCHEMBL7987016 | 0.87 | ALDH1A1 (0.51) | ALDH1A1MKNK1GAAATMLMNA | |
| SCHEMBL6868470 | 0.79 | MAPK14 (0.44) | ALDH1A1HTR2AHTR2CGAAATM | |
| SCHEMBL4111269 | 0.78 | MKNK1 (0.51) | ALDH1A1MKNK1LMNAMAPTHTT | |
| SCHEMBL6016397 | 0.78 | CDC7 (0.39) | ALDH1A1GAAADORA2AADORA1MAPK14 | |
| SCHEMBL6869578 | 0.76 | PTGS2 (0.46) | ALDH1A1HTR2AGAAATMLMNA | |
| SCHEMBL6016314 | 0.75 | MKNK1 (0.48) | ALDH1A1MKNK1LMNAMAPTHTT | |
| SCHEMBL6861977 | 0.73 | MEN1 (0.45) | ALDH1A1HTR2AHTR2CADORA2AADORA1 | |
| SCHEMBL7987933 | 0.72 | TP53 (0.43) | ALDH1A1 |
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 |