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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | CACNB4 | O00305 | 2/20 | 0.47 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.47 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.47 |
| ▸ | CACNG3 | O60359 | 2/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.47 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | CACNB3 | P54284 | 2/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.47 |
| ▸ | CACNG7 | P62955 | 2/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.47 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.47 |
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 SCHEMBL7494820 | 0.89 | CYP2C9 (0.52) | CYP2C9RECQLABCG2MAPTHTT | |
| SCHEMBL7484252 | 0.85 | MAPT (0.49) | CYP2C9RECQLABCG2MAPTHTT | |
| SCHEMBL7495290 | 0.82 | CYP2C9 (0.41) | CYP2C9RECQLABCG2MAPTHTT | |
| Diethylamine SCHEMBL7485977 | 0.78 | ABCG2 (0.66) | CYP2C9ABCG2MAPTHTTALDH1A1 | |
| SCHEMBL17747463 | 0.76 | ABCG2 (0.82) | CYP2C9RECQLABCG2MAPTHTT | |
| Diethylamine SCHEMBL7485928 | 0.74 | ABCG2 (0.54) | ABCG2MAPTHTTALDH1A1HPGD | |
| Diethylamine SCHEMBL8131909 | 0.74 | FABP3 (0.58) | MAPTHTTALDH1A1HPGDCACNB4 | |
| SCHEMBL8805468 | 0.73 | KDM4E (0.36) | MAPTHTTLMNAKDM4EPOLB | |
| SCHEMBL7488242 | 0.73 | MAPT (0.53) | CYP2C9RECQLMAPTHTTALDH1A1 | |
| SCHEMBL17747461 | 0.72 | ABCG2 (0.75) | ABCG2MAPTHTTALDH1A1HPGD |
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 | disclosed |