Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL195729 | 0.84 | — | — | |
| SCHEMBL7518104 | 0.84 | — | — | |
| SCHEMBL7519125 | 0.84 | — | — | |
| Acetonitrile SCHEMBL27696067 | 0.79 | — | — | |
| Diethylamine SCHEMBL6311253 | 0.77 | TP53 (0.44) | TP53MCL1TSHRKDM4EALDH1A1 | |
| SCHEMBL27280935 | 0.74 | — | — | |
| SCHEMBL9762703 | 0.74 | — | — | |
| Butanol SCHEMBL28754544 | 0.73 | TSHR (0.67) | TP53TSHRKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL29169409 | 0.73 | FFAR3 (0.35) | TP53MCL1TSHRALDH1A1 | |
| Diethylamine SCHEMBL743633 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4990683-A | Process for preparing 3-pyrrolidinols | A. H. ROBINS COMPANY, INCORPORATED (US) | 1991-02-05 | — | — | US | disclosed |
| EP-0269258-A2 | Process for the preparation of a pyrrolidinol compound | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-06-01 | — | — | EP | disclosed |