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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL6495398 | 0.91 | TP53 (0.53) | TP53FFAR3LCKFYNALDH1A1 | |
| Diethylamine SCHEMBL28253782 | 0.88 | TP53 (0.50) | TP53FFAR3ALDH1A1TDP1TSHR | |
| Diethylamine SCHEMBL21834232 | 0.88 | TP53 (0.57) | TP53FFAR3LCKFYNALDH1A1 | |
| Diethylamine SCHEMBL26687929 | 0.88 | TP53 (0.57) | TP53FFAR3LCKFYNALDH1A1 | |
| Diethylamine SCHEMBL28027344 | 0.88 | TP53 (0.57) | TP53FFAR3LCKFYNALDH1A1 | |
| Diethylamine SCHEMBL1427970 | 0.88 | — | — | |
| Diethylamine SCHEMBL28871047 | 0.88 | TP53 (0.57) | TP53FFAR3LCKFYNALDH1A1 | |
| Diethylamine SCHEMBL25331561 | 0.85 | TP53 (0.53) | TP53FFAR3LCKFYNALDH1A1 | |
| Diethylamine SCHEMBL28731052 | 0.85 | TP53 (0.53) | TP53FFAR3LCKFYNALDH1A1 | |
| Diethylamine SCHEMBL28518755 | 0.85 | TP53 (0.53) | TP53FFAR3LCKFYNALDH1A1 |
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-1147637-A | Fluorometric detection of liquid chromatic spectrum of berberine compounds | XUHUI DISTRICT CENTRAL HOSPITA (CN) | 1997-04-16 | — | — | CN | disclosed |