Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLRA1 | P23415 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.46 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ether SCHEMBL6308369 | 0.88 | GLRA1 (0.59) | GLRA1SLC6A9OR51E2ALDH1A1TSHR | |
| Ether SCHEMBL1001966 | 0.85 | GLRA1 (0.56) | GLRA1SLC6A9OR51E2ALDH1A1TSHR | |
| Ether SCHEMBL11338375 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRFFAR3THRBALOX15 | |
| Glycine SCHEMBL3102650 | 0.85 | GLRA1 (0.62) | GLRA1SLC6A9OR51E2ALDH1A1TSHR | |
| Glycine SCHEMBL18205005 | 0.85 | GLRA1 (0.62) | GLRA1SLC6A9OR51E2ALDH1A1TSHR | |
| Glycine SCHEMBL421804 | 0.85 | — | — | |
| Glycine SCHEMBL7783306 | 0.85 | GLRA1 (0.62) | GLRA1SLC6A9OR51E2ALDH1A1TSHR | |
| Glycine SCHEMBL27489498 | 0.85 | GLRA1 (0.62) | GLRA1SLC6A9OR51E2ALDH1A1TSHR | |
| Ether SCHEMBL23501124 | 0.83 | GLRA1 (0.53) | GLRA1SLC6A9OR51E2ALDH1A1TSHR | |
| Ether SCHEMBL2191778 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRFFAR3THRBALOX15 |
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-1948699-A1 | WATERBORNE CURABLE RESIN COMPOSITION | Nippon Shokubai Co.,Ltd. (JP) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007037559-A1 | WATERBORNE CURABLE RESIN COMPOSITION | NIPPON SHOKUBAI CO., LTD. (JP) | 2007-04-05 | — | — | WO | disclosed |