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 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.43 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
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 SCHEMBL8992883 | 0.87 | HCAR3 (0.39) | KDM4EALDH1A1POLBGAAMAP4K4 | |
| Diethanolamine SCHEMBL8992876 | 0.81 | MEN1 (0.41) | KDM4EALDH1A1ADRA2BADRA2CMAPK1 | |
| SCHEMBL8993043 | 0.78 | NPC1 (0.40) | KDM4EALDH1A1POLBGAAMAP4K4 | |
| SCHEMBL4637912 | 0.73 | MAPT (0.53) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL3299277 | 0.67 | ALDH1A1 (0.44) | KDM4EALDH1A1POLBGAAMAP4K4 | |
| SCHEMBL14401866 | 0.67 | RECQL (0.74) | ALDH1A1POLBSMN1; SMN2MAPTHTT | |
| SCHEMBL17604353 | 0.66 | MKNK1 (0.52) | KDM4EALDH1A1POLBGAAMAPK1 | |
| SCHEMBL7891213 | 0.66 | KDM4E (0.46) | KDM4EALDH1A1POLBGAAMAP4K4 | |
| SCHEMBL1570064 | 0.66 | KDM4E (0.46) | KDM4EALDH1A1POLBGAAMAP4K4 | |
| SCHEMBL182559 | 0.66 | NPC1 (0.53) | KDM4EALDH1A1POLBGAAMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0601302-B1 | Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes | WELLA AG (DE) | 1996-07-10 | — | — | EP | claimed |