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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.34 |
| ▸ | SELP | P16109 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
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 SCHEMBL1832794 | 0.88 | ALDH1A1 (0.43) | KDM4EALDH1A1SMN1; SMN2HTTALOX15 | |
| Ethylene Glycol SCHEMBL9725105 | 0.84 | CYP1A2 (0.50) | CYP1A2KDM4EALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL1835458 | 0.84 | CYP1A2 (0.38) | CYP1A2KDM4EALDH1A1SMN1; SMN2HTT | |
| Phthalic Acid SCHEMBL21195154 | 0.81 | ALDH1A1 (0.61) | KDM4EALDH1A1SMN1; SMN2HTTKMT2A | |
| Phthalic Acid SCHEMBL1833827 | 0.81 | ALDH1A1 (0.61) | KDM4EALDH1A1SMN1; SMN2HTTKMT2A | |
| SCHEMBL29445717 | 0.79 | CYP1A2 (0.61) | CYP1A2KDM4EALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL22989 | 0.79 | CYP1A2 (0.61) | CYP1A2KDM4EALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL1988762 | 0.79 | CYP1A2 (0.61) | CYP1A2KDM4EALDH1A1SMN1; SMN2ALOX15 | |
| Monoethanolamine SCHEMBL1833522 | 0.78 | CYP1A2 (0.44) | CYP1A2KDM4EALDH1A1SMN1; SMN2KMT2A | |
| Diethanolamine SCHEMBL7579022 | 0.77 | KDM4E (0.51) | CYP1A2KDM4EALDH1A1KMT2ARAB9A |
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 10 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 |
| 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 |