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 | 0.54 |
| ▸ | ABCC1 | P33527 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | CACNB4 | O00305 | 2/20 | 0.51 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.51 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.51 |
| ▸ | CACNG3 | O60359 | 2/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.51 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | CACNB3 | P54284 | 2/20 | 0.51 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.51 |
| ▸ | CACNG7 | P62955 | 2/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.51 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.51 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.51 |
| ▸ | CACNG1 | Q06432 | 2/20 | 0.51 |
| ▸ | CACNB2 | Q08289 | 2/20 | 0.51 |
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 SCHEMBL7484722 | 0.90 | ABCG2 (0.51) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| Diethylamine SCHEMBL7485977 | 0.87 | ABCG2 (0.66) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| Diethylamine SCHEMBL7494820 | 0.84 | CYP2C9 (0.52) | ABCG2ALDH1A1GAAMAPTCACNB4 | |
| SCHEMBL7493208 | 0.84 | SLC10A2 (0.50) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| SCHEMBL7485921 | 0.81 | SLC10A2 (0.48) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| SCHEMBL7493393 | 0.80 | SLC10A2 (0.47) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| SCHEMBL8807205 | 0.79 | SLC10A2 (0.46) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| Diethylamine SCHEMBL8137966 | 0.79 | GAA (0.58) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| SCHEMBL17747448 | 0.78 | ABCG2 (0.84) | ABCG2ABCC1ALDH1A1GAAMAPT | |
| SCHEMBL7494921 | 0.77 | SLC10A2 (0.44) | ABCG2ABCC1ALDH1A1GAAMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0791000-A1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1997-08-27 | — | — | EP | claimed |
| WO-1996014319-A1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-17 | — | — | WO | claimed |
| EP-0791000-B1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-10-02 | — | — | EP | disclosed |
| EP-0791000-A1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996014319-A1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-17 | — | — | WO | disclosed |