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 | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NNMT | P40261 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 SCHEMBL8993119 | 0.87 | KDM4E (0.43) | HCAR3ALDH1A1KDM4EPOLBGAA | |
| Diethanolamine SCHEMBL8992876 | 0.80 | MEN1 (0.41) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8992877 | 0.75 | NPC1 (0.43) | HCAR3ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL8993043 | 0.66 | NPC1 (0.40) | HCAR3ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL4637912 | 0.65 | MAPT (0.53) | ALDH1A1KDM4EPOLBGAAMAPT | |
| Azobenzene SCHEMBL28478925 | 0.65 | ALDH1A1 (0.71) | ALDH1A1KDM4EPOLBMAPTMEN1 | |
| Dimethylamine SCHEMBL3698119 | 0.65 | ALDH1A1 (0.71) | ALDH1A1KDM4EPOLBMAPTMEN1 | |
| Azobenzene SCHEMBL27839005 | 0.63 | ALDH1A1 (0.67) | ALDH1A1KDM4EPOLBMAPTMEN1 | |
| Azobenzene SCHEMBL28766495 | 0.62 | ALDH1A1 (0.75) | ALDH1A1KDM4EPOLBMAPTMEN1 | |
| SCHEMBL11995532 | 0.62 | TSHR (0.59) | ALDH1A1KDM4EPOLBMAPTMEN1 |
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 |