Known targets — ChEMBL curated mechanism
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
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.33 |
| ▸ | LAP3 | P28838 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL28296616 | 1.00 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL155992 | 0.97 | TSHR (0.42) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL514882 | 0.97 | TSHR (0.42) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL4830427 | 0.93 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL7994686 | 0.93 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL23069487 | 0.93 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL9451023 | 0.93 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL1092628 | 0.93 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL8633019 | 0.93 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 | |
| Ether SCHEMBL1091790 | 0.93 | TSHR (0.40) | TSHRPPARDALDH1A1TP53TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109662092-A | For killing the missible oil of fly | 江苏扬农化工股份有限公司 | 2019-04-23 | — | — | CN | disclosed |