Known targets — ChEMBL curated mechanism
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The experimentally established mechanism targets of Azetidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Azetidine SCHEMBL1500479 | 1.00 | — | — | |
| Pyrrolidine SCHEMBL222328 | 0.93 | — | — | |
| Pyrrolidine SCHEMBL5683314 | 0.93 | ALDH1A1 (0.53) | ALDH1A1TSHRCXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL66142 | 0.89 | — | — | |
| Alcohol SCHEMBL27962627 | 0.89 | CXCR4 (0.60) | ALDH1A1TSHRCXCR4SMN1; SMN2 | |
| Aziridine SCHEMBL64046 | 0.87 | — | — | |
| Piperidine SCHEMBL6836703 | 0.87 | ALDH1A1 (0.56) | ALDH1A1TSHRCXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL27734261 | 0.87 | ALDH1A1 (0.56) | ALDH1A1TSHRCXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL28352932 | 0.87 | ALDH1A1 (0.56) | ALDH1A1TSHRCXCR4SMN1; SMN2 | |
| Cyclohexane SCHEMBL28639868 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRCXCR4SMN1; SMN2 |
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-3990091-A1 | METHODS AND INTERMEDIATES FOR PREPARING HYDROCHLORIDE SALT OF 5-[3-(3-HYDROXYPHENOXY)AZETIDIN-1-YL]-5-METHYL-2,2-DIPHENYLHEXANAMIDE | Mylan Laboratories Ltd. (IN) | 2022-05-04 | — | — | EP | disclosed |
| WO-2020261160-A1 | METHODS AND INTERMEDIATES FOR PREPARING HYDROCHLORIDE SALT OF 5-[3-(3-HYDROXYPHENOXY)AZETIDIN-1-YL]-5-METHYL-2,2-DIPHENYLHEXANAMIDE | MYLAN LABORATORIES LIMITED (IN) | 2020-12-30 | — | — | WO | disclosed |