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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 SCHEMBL8715474 | 0.91 | ALDH1A1 (0.36) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL28869 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL29480441 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| Dimethylamine SCHEMBL8714749 | 0.90 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| Benzene SCHEMBL28275266 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| Ethyne SCHEMBL12081429 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| Propene SCHEMBL27561307 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL8830667 | 0.86 | THRA (0.43) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL714033 | 0.86 | LIPG (0.50) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL31099593 | 0.86 | LIPG (0.50) | CYP3A4CYP2D6CYP2C9THRATHRB |
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 |