Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethanolamine. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL1832822 | 1.00 | KDM4E (0.39) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL30231435 | 0.97 | KDM4E (0.38) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Bicarbonate SCHEMBL4329497 | 0.97 | SMN1; SMN2 (0.39) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL11848123 | 0.94 | KDM4E (0.37) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL1834267 | 0.90 | KDM4E (0.47) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL1401642 | 0.90 | KDM4E (0.47) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL9588654 | 0.87 | ACHE (0.44) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL8849809 | 0.87 | KDM4E (0.46) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Malonic Acid SCHEMBL5875293 | 0.87 | LDHA (0.56) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL1682232 | 0.87 | LDHA (0.39) | KDM4EALDH1A1MEN1KMT2AUSP2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |
| EP-1805131-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2007-07-11 | — | — | EP | claimed |
| WO-2005097731-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2005-10-20 | — | — | WO | claimed |
| CN-117447755-A | Alcohol amine composition and use thereof as polyurethane blowing agent | 山东理工大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-112029140-B | Polyurethane composite foaming agent containing dialkyl carbonate | 毕戈华 | 2023-08-11 | — | — | CN | disclosed |
| US-9328220-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2016-05-03 | — | — | US | disclosed |
| US-8992798-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2015-03-31 | — | — | US | disclosed |
| US-8784686-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2014-07-22 | — | — | US | disclosed |
| US-20140187684-A1 | LIQUIDS | INNOVIA FILMS LIMITED (GB) | 2014-07-03 | — | — | US | disclosed |
| US-20110257433-A1 | LIQUIDS | THE UNIVERSITY OF YORK (GB) | 2011-10-20 | — | — | US | disclosed |
| EP-2322497-A1 | Ionic liquids comprising nitrogen containing cations | Innovia Films Limited (GB) | 2011-05-18 | — | — | EP | disclosed |
| CN-101316810-A | Ionic liquids | BIONIQS LTD (GB) | 2008-12-03 | — | — | CN | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | disclosed |
| EP-1805131-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2007-07-11 | — | — | EP | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| WO-2005097731-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2005-10-20 | — | — | WO | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |