Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6862075 | 0.84 | AURKA (0.45) | CYP1A2CYP3A4CYP2D6KDM4ELMNA | |
| SCHEMBL5408033 | 0.81 | KDM4E (0.51) | KDM4ELMNAAURKAKDRAURKB | |
| SCHEMBL6016289 | 0.78 | NTRK1 (0.47) | CYP1A2CYP3A4CYP2D6KDM4ELMNA | |
| SCHEMBL5416240 | 0.77 | LMNA (0.43) | KDM4ELMNAAURKANPC1LRRK2 | |
| SCHEMBL6867739 | 0.76 | NPC1 (0.42) | CYP1A2CYP3A4KDM4ELMNAAURKA | |
| SCHEMBL6620834 | 0.74 | KDM4E (0.38) | CYP1A2CYP3A4CYP2D6KDM4ELMNA | |
| SCHEMBL6620837 | 0.74 | KDM4E (0.38) | CYP1A2CYP3A4CYP2D6KDM4ELMNA | |
| SCHEMBL6862190 | 0.74 | MEN1 (0.54) | KDM4ELMNAAURKAKDRAURKB | |
| SCHEMBL12126827 | 0.73 | NPC1 (0.50) | KDM4ELMNAAURKAKDRAURKB | |
| SCHEMBL14029210 | 0.73 | LMNA (0.49) | KDM4ELMNAHSP90AA1HSD17B10MAPT |
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-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |