Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3403819 | 0.73 | — | — | |
| SCHEMBL9738958 | 0.72 | LMNA (0.50) | CYP3A4NPC1RAB9ATSHRMAPT | |
| SCHEMBL28850765 | 0.70 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28161824 | 0.69 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL897958 | 0.69 | CYP3A4 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6158205 | 0.68 | — | — | |
| SCHEMBL8220822 | 0.68 | TBXAS1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2421526 | 0.68 | LMNA (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL972824 | 0.67 | DAGLA (0.46) | NPC1RAB9ACES1 | |
| SCHEMBL27591320 | 0.67 | LTA4H (0.42) | CYP3A4CES2PLA2G4BTSHRCES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934279-A1 | PROCESS TO PREPARE 1-ARYL-2-(1-IMIDAZOLYL)ALKYL ETHERS AND THIOETHERS | HOECHST CELANESE CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| EP-0934279-A4 | — | — | 1999-08-11 | — | — | EP | disclosed |
| WO-1997012873-A1 | PROCESS TO PREPARE 1-ARYL-2-(1-IMIDAZOLYL)ALKYL ETHERS AND THIOETHERS | HOECHST CELANESE CORPORATION (US) | 1997-04-10 | — | — | WO | disclosed |