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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 3/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.31 |
| ▸ | TOP2A | P11388 | 1/20 | 0.31 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6059293 | 0.96 | LCK (0.34) | LCKPTGDR2SCN9ACYP17A1PTGER1 | |
| Diethylamine SCHEMBL7380494 | 0.81 | NAMPT (0.41) | PTGDR2SCN9ACYP17A1MAPKAPK2ALDH1A1 | |
| SCHEMBL3820976 | 0.76 | NAMPT (0.43) | PTGDR2SCN9ACYP17A1ALDH1A1MKNK2 | |
| SCHEMBL6059133 | 0.76 | ALDH1A1 (0.36) | LCKSCN9ACYP17A1PTGER1ALDH1A1 | |
| SCHEMBL6059352 | 0.76 | LCK (0.40) | LCKPTGDR2SCN9ACYP17A1PTGER1 | |
| SCHEMBL6059214 | 0.75 | LCK (0.39) | LCKPTGDR2SCN9ACYP17A1PTGER1 | |
| SCHEMBL3888187 | 0.75 | LCK (0.39) | LCKPTGDR2SCN9ACYP17A1PTGER1 | |
| SCHEMBL6059061 | 0.74 | PPARG (0.37) | LCKPTGDR2SCN9ACYP17A1PTGER1 | |
| SCHEMBL6058901 | 0.73 | IGF1R (0.41) | SREBF2CYP17A1ALDH1A1MKNK2 | |
| SCHEMBL28085713 | 0.73 | ALDH1A1 (0.48) | ALDH1A1ALOX15 |
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-1180098-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000066557-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-11-09 | — | — | WO | disclosed |