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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 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 SCHEMBL1016951 | 0.97 | ALDH1A1 (0.46) | ALDH1A1CA5ACA5BTP53PPARD | |
| Ether SCHEMBL2403925 | 0.95 | ALDH1A1 (0.43) | ALDH1A1CA5ACA5BTP53PPARD | |
| Ether SCHEMBL739042 | 0.91 | ALDH1A1 (0.43) | ALDH1A1CA5ACA5BTP53TSHR | |
| Ether SCHEMBL27570944 | 0.91 | CA5A (0.43) | ALDH1A1CA5ACA5BTP53TSHR | |
| Ether SCHEMBL38466 | 0.91 | CA5A (0.43) | ALDH1A1CA5ACA5BTP53TSHR | |
| Ether SCHEMBL6514000 | 0.88 | ALDH1A1 (0.41) | ALDH1A1CA5ACA5BTP53TSHR | |
| Ether SCHEMBL9221305 | 0.88 | CA5A (0.40) | ALDH1A1CA5ACA5BTP53TSHR | |
| Ether SCHEMBL19813170 | 0.88 | CA5A (0.40) | ALDH1A1CA5ACA5BTP53TSHR | |
| Ether SCHEMBL828632 | 0.88 | CA5A (0.40) | ALDH1A1CA5ACA5BTP53TSHR | |
| Ether SCHEMBL1095738 | 0.88 | CA5A (0.40) | ALDH1A1CA5ACA5BTP53TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4900544-A | IN SURFACTANT MIXTURE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1990-02-13 | — | — | US | claimed |
| US-4695652-A | Process for the preparation of β-aminoethyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1987-09-22 | — | — | US | claimed |
| CN-104838444-B | Method for manufacturing glass substrate for hard disk | HOYA株式会社 | 2018-06-29 | — | — | CN | disclosed |
| CN-1171132-A | Liquid cleaning compositions | COLGATE POLMOLICE CO (US) | 1998-01-21 | — | — | CN | disclosed |