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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL78218 | 0.92 | ALDH1A1 (0.41) | ALDH1A1MITFTHRATHRBCYP3A4 | |
| Diethylamine SCHEMBL8713975 | 0.91 | CYP3A4 (0.42) | ALDH1A1THRATHRBCYP3A4CYP2D6 | |
| Dimethylamine SCHEMBL8716369 | 0.91 | ALDH1A1 (0.38) | ALDH1A1MITFTHRATHRBCYP3A4 | |
| Butane SCHEMBL9310262 | 0.90 | ALDH1A1 (0.40) | ALDH1A1MITFTHRATHRBCYP3A4 | |
| Diethylamine SCHEMBL8656842 | 0.87 | ALDH1A1 (0.38) | ALDH1A1THRBGAA | |
| SCHEMBL8749936 | 0.83 | TSHR (0.45) | ALDH1A1CYP2D6GAA | |
| SCHEMBL11177632 | 0.82 | DRD2 (0.40) | ALDH1A1HTR2ASIGMAR1 | |
| SCHEMBL28869 | 0.81 | CYP3A4 (0.44) | ALDH1A1MITFTHRATHRBCYP3A4 | |
| SCHEMBL29480441 | 0.81 | CYP3A4 (0.44) | ALDH1A1MITFTHRATHRBCYP3A4 | |
| Dimethylamine SCHEMBL8714749 | 0.80 | CYP3A4 (0.44) | ALDH1A1THRATHRBCYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0864592-A1 | DIENE RUBBER | NIPPON ZEON CO., LTD. (JP) | 1998-09-16 | — | — | EP | disclosed |