Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylaminoethanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
| ▸ | ARG2 | P78540 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Diethylaminoethanol SCHEMBL537914 | 0.91 | MAPT (0.67) | MAPTCYP2C9CYP1A2HPGDMAPK1 | |
| Diethylaminoethanol SCHEMBL2788218 | 0.91 | CYP1A2 (0.46) | MAPTCYP2C9CYP1A2HPGDMAPK1 | |
| Monoethanolamine SCHEMBL15064097 | 0.85 | CYP1A2 (0.52) | MAPTCYP2C9CYP1A2HPGDMAPK1 | |
| Dimethylaminoethanol SCHEMBL20677258 | 0.85 | MAPT (0.75) | MAPTCYP2C9CYP1A2HSD17B10ALDH1A1 | |
| Dimethylaminoethanol SCHEMBL11289429 | 0.83 | MAPT (0.63) | MAPTCYP2C9ALDH1A1TSHRTDP1 | |
| Dimethylaminoethanol SCHEMBL9003859 | 0.83 | MAPT (0.71) | MAPTCYP2C9CYP1A2HPGDMAPK1 | |
| SCHEMBL9715505 | 0.81 | MAPT (0.52) | MAPTCYP2C9CYP1A2HPGDMAPK1 | |
| Diethylaminoethanol SCHEMBL16774691 | 0.80 | CYP1A2 (0.50) | MAPTCYP2C9CYP1A2HPGDMAPK1 | |
| Dimethylaminoethanol SCHEMBL28282228 | 0.80 | MAPT (0.75) | MAPTCYP2C9CYP1A2HSD17B10ALDH1A1 | |
| Diethylaminoethanol SCHEMBL10699915 | 0.80 | — | — |
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-1641761-A4 | 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS | MERCK & CO INC (US) | 2008-05-14 | — | — | EP | disclosed |
| EP-1648457-A2 | PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-04-26 | — | — | EP | disclosed |
| EP-1641761-A2 | 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005009950-A2 | PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-02-03 | — | — | WO | disclosed |
| WO-2005004807-A2 | 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2005-01-20 | — | — | WO | disclosed |