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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ARG1 | P05089 | 3/20 | 0.41 |
| ▸ | ARG2 | P78540 | 3/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 SCHEMBL29049250 | 0.92 | CYP1A2 (0.45) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL5026825 | 0.92 | CYP1A2 (0.45) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL5029631 | 0.90 | FFAR3 (0.50) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL5027757 | 0.90 | CYP1A2 (0.43) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL10699915 | 0.88 | — | — | |
| Diethylaminoethanol SCHEMBL3114 | 0.88 | — | — | |
| Diethylaminoethanol SCHEMBL3300316 | 0.87 | MAPT (0.45) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Acetic Acid SCHEMBL11209916 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2C9HPGDMAPK1HIF1A | |
| Diethylaminoethanol SCHEMBL3848943 | 0.85 | — | — | |
| Diethylaminoethanol SCHEMBL20815437 | 0.85 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2076488-B1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | METKINEN CHEMISTRY OY (FI) | 2016-05-11 | — | — | EP | claimed |
| US-8779194-B2 | Carbamoylation of amines, thiophenols, mercaptanes and phenols employing organic azides | METKINEN CHEMISTRY OY (FI) | 2014-07-15 | — | — | US | claimed |
| EP-2076488-A1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | Metkinen Chemistry OY (FI) | 2009-07-08 | — | — | EP | claimed |
| WO-2008049972-A1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | METKINEN CHEMISTRY OY (FI) | 2008-05-02 | — | — | WO | claimed |
| EP-2076488-B1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | METKINEN CHEMISTRY OY (FI) | 2016-05-11 | — | — | EP | disclosed |
| US-8779194-B2 | Carbamoylation of amines, thiophenols, mercaptanes and phenols employing organic azides | METKINEN CHEMISTRY OY (FI) | 2014-07-15 | — | — | US | disclosed |
| US-20100093981-A1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | METKINEN CHEMISTRY OY (FI) | 2010-04-15 | — | — | US | disclosed |
| EP-2076488-A1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | Metkinen Chemistry OY (FI) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008049972-A1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | METKINEN CHEMISTRY OY (FI) | 2008-05-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100093981-A1 | CARBAMOYLATION OF AMINES, THIOPHENOLS, MERCAPTANES AND PHENOLS EMPLOYING ORGANIC AZIDES | ALKBH1, CPS1, RNGTT | CYP1A2 2376/4885CYP2C9 1169/4885HPGD 3685/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.