Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRND | Q07001 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16583526 | 0.83 | CHRNB2 (0.37) | MAPTPTGS2HSP90AA1NPSR1CHRNB2 | |
| SCHEMBL3720343 | 0.77 | PTGS2 (0.38) | MAPTPTGS2HSP90AA1NPSR1GAA | |
| SCHEMBL13258813 | 0.77 | PTGS2 (0.38) | MAPTPTGS2HSP90AA1NPSR1GAA | |
| SCHEMBL28193546 | 0.74 | CHRNB2 (0.36) | MAPTHSP90AA1NPSR1CHRNB2SLC6A2 | |
| SCHEMBL13343386 | 0.73 | CYP3A4 (0.40) | MAPTPTGS2HSP90AA1NPSR1CHRNB2 | |
| SCHEMBL12319751 | 0.73 | CYP3A4 (0.40) | MAPTPTGS2HSP90AA1NPSR1CHRNB2 | |
| SCHEMBL4082290 | 0.73 | CYP3A4 (0.40) | MAPTPTGS2HSP90AA1NPSR1CHRNB2 | |
| SCHEMBL29752599 | 0.72 | SLC5A2 (0.38) | — | |
| SCHEMBL14939308 | 0.72 | SLC5A2 (0.38) | — | |
| SCHEMBL10417574 | 0.72 | SLC5A2 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730094-A1 | METHOD FOR THE PREPARATION OF ARYL ETHERS | Pharmacia & Upjohn Company LLC (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005082824-A1 | METHOD FOR THE PREPARATION OF ARYL ETHERS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2005-09-09 | — | — | WO | disclosed |