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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3820976 | 0.96 | NAMPT (0.43) | NAMPTHDAC1MKNK2GRIN2BKDM4E | |
| SCHEMBL7382262 | 0.85 | NAMPT (0.42) | NAMPTHDAC1MKNK2GRIN2BKDM4E | |
| SCHEMBL2871142 | 0.82 | NAMPT (0.46) | NAMPTHDAC1MKNK2GRIN2BKDM4E | |
| SCHEMBL6059117 | 0.82 | NAMPT (0.42) | NAMPTHDAC1MKNK2GRIN2BKDM4E | |
| SCHEMBL6059113 | 0.82 | NAMPT (0.42) | NAMPTHDAC1MKNK2GRIN2BKDM4E | |
| Diethylamine SCHEMBL7375183 | 0.81 | LCK (0.32) | MKNK2CYP17A1GSK3BDYRK1APTGDR2 | |
| Diethylamine SCHEMBL7377252 | 0.81 | L3MBTL1 (0.36) | MKNK2POLBMAPKAPK2MAPTALDH1A1 | |
| SCHEMBL6058862 | 0.80 | NAMPT (0.41) | NAMPTHDAC1MKNK2GRIN2BKDM4E | |
| SCHEMBL6059329 | 0.80 | NAMPT (0.41) | NAMPTHDAC1MKNK2GRIN2BKDM4E | |
| SCHEMBL6059375 | 0.80 | NAMPT (0.41) | NAMPTHDAC1MKNK2GRIN2BKDM4E |
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 |