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 | 0.56 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.56 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
| ▸ | GABRD | O14764 | 2/20 | 0.33 |
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 | 0.97 | GLRA1 (0.59) | GLRA1SLC6A9OR51E2KDM4EFFAR3 | |
| Ether SCHEMBL23501124 | 0.92 | GLRA1 (0.53) | GLRA1SLC6A9OR51E2KDM4EFFAR3 | |
| Ether SCHEMBL5072098 | 0.85 | GLRA1 (0.46) | GLRA1SLC6A9OR51E2KDM4EFFAR3 | |
| 1,4-Butanediol SCHEMBL7192834 | 0.85 | GLRA1 (0.46) | GLRA1SLC6A9OR51E2KDM4EFFAR3 | |
| Beta-Alanine SCHEMBL27961996 | 0.82 | BLM (0.46) | OR51E2KDM4EFFAR3THRBALOX15 | |
| Ether SCHEMBL4328551 | 0.80 | ALOX15 (0.46) | GLRA1SLC6A9OR51E2KDM4ETHRB | |
| Ether SCHEMBL28156440 | 0.80 | ALOX15 (0.46) | GLRA1SLC6A9OR51E2KDM4ETHRB | |
| Ether SCHEMBL173703 | 0.79 | — | — | |
| Propionic Acid SCHEMBL11213569 | 0.79 | FFAR3 (0.67) | FFAR3THRBALOX15ALDH1A1TSHR | |
| Propionic Acid SCHEMBL906439 | 0.79 | FFAR3 (0.67) | FFAR3THRBALOX15ALDH1A1TSHR |
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-2269980-A1 | CREATINE AMIDES, A METHOD FOR THE PRODUCTION THEREOF AND AN AGENT EXHIBITING A NEUROPROTECTIVE ACTION | Vertex Closed Joint Stock Company (RU) | 2011-01-05 | — | — | EP | disclosed |
| EP-0788796-A1 | URICOSURIC AGENT | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1997-08-13 | — | — | EP | disclosed |