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 | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.51 |
| ▸ | ABCC1 | P33527 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CACNB4 | O00305 | 2/20 | 0.41 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.41 |
| ▸ | CACNG3 | O60359 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CACNB3 | P54284 | 2/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | CACNG7 | P62955 | 2/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.41 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.41 |
| ▸ | CACNG1 | Q06432 | 2/20 | 0.41 |
| ▸ | CACNB2 | Q08289 | 2/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.41 |
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 SCHEMBL7485928 | 0.90 | ABCG2 (0.54) | ABCG2ABCC1ALDH1A1MAPTCACNB4 | |
| SCHEMBL7484725 | 0.81 | ABCC1 (0.40) | ABCG2ABCC1ALDH1A1MAPTCACNB4 | |
| Diethylamine SCHEMBL8139765 | 0.79 | ALDH1A1 (0.44) | ABCG2ABCC1ALDH1A1CACNB4CACNA1A | |
| Diethylamine SCHEMBL7485977 | 0.77 | ABCG2 (0.66) | ABCG2ABCC1ALDH1A1MAPTACHE | |
| Diethylamine SCHEMBL7488798 | 0.76 | MAPT (0.42) | ABCG2ABCC1ALDH1A1MAPTLMNA | |
| SCHEMBL7493208 | 0.76 | SLC10A2 (0.50) | ABCG2ABCC1ALDH1A1MAPTCACNB4 | |
| SCHEMBL17747432 | 0.74 | ABCG2 (0.85) | ABCG2ABCC1MAPT | |
| Diethylamine SCHEMBL7494820 | 0.74 | CYP2C9 (0.52) | ABCG2ALDH1A1MAPTCACNB4CACNA1A | |
| SCHEMBL7485921 | 0.74 | SLC10A2 (0.48) | ABCG2ABCC1ALDH1A1MAPTCACNB4 | |
| SCHEMBL17747486 | 0.73 | ABCG2 (0.73) | ABCG2ABCC1MAPT |
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-0791000-B1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-10-02 | — | — | EP | claimed |