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 | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 5/20 | 0.45 |
| ▸ | PTK6 | Q13882 | 5/20 | 0.45 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | IGF1R | P08069 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668527 | 0.83 | ERBB2 (0.42) | ERBB2PTK6UTS2RALKEGFR | |
| SCHEMBL3668046 | 0.83 | ERBB2 (0.41) | ERBB2PTK6UTS2RALKEGFR | |
| SCHEMBL3668534 | 0.82 | ERBB2 (0.42) | ERBB2PTK6UTS2RALKEGFR | |
| SCHEMBL3668532 | 0.82 | TLR9 (0.42) | ERBB2PTK6UTS2RALKEGFR | |
| SCHEMBL675753 | 0.82 | ERBB2 (0.41) | ERBB2PTK6UTS2RALKEGFR | |
| Diethylamine SCHEMBL676106 | 0.82 | ERBB2 (0.37) | ERBB2PTK6UTS2RHDAC3HDAC4 | |
| Diethylamine SCHEMBL3664811 | 0.80 | HDAC3 (0.35) | ERBB2PTK6HDAC3HDAC4HDAC1 | |
| SCHEMBL3668044 | 0.79 | ERBB2 (0.41) | ERBB2PTK6UTS2RALKAURKA | |
| SCHEMBL675345 | 0.79 | CA1 (0.47) | ERBB2PTK6ALKAURKAAURKB | |
| SCHEMBL3668528 | 0.78 | ERBB2 (0.42) | ERBB2PTK6UTS2RALKEGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |