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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HBB | P68871 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
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 | 0.81 | KDM4E (0.43) | MEN1KMT2AMAPTHTTRAB9A | |
| Diethanolamine SCHEMBL8992883 | 0.80 | HCAR3 (0.39) | MEN1KMT2AMAPTHTTRAB9A | |
| SCHEMBL8992872 | 0.72 | MAPT (0.43) | MEN1KMT2AMAPTRAB9ALMNA | |
| SCHEMBL4637912 | 0.71 | MAPT (0.53) | MEN1KMT2AMAPTHTTRAB9A | |
| Aniline SCHEMBL9310054 | 0.67 | TSHR (0.52) | MAPTHTTRAB9ALMNACYP3A4 | |
| SCHEMBL8697303 | 0.67 | GABRP (0.38) | ADRA2BADRA2CSMN1; SMN2KDM4EHSD17B10 | |
| Azobenzene SCHEMBL28478925 | 0.67 | ALDH1A1 (0.71) | MEN1KMT2AMAPTHTTRAB9A | |
| SCHEMBL9846966 | 0.66 | ALDH1A1 (0.55) | MEN1KMT2AMAPTHTTRAB9A | |
| SCHEMBL9846962 | 0.66 | ALDH1A1 (0.55) | MEN1KMT2AMAPTHTTRAB9A | |
| SCHEMBL13450892 | 0.66 | HDAC1 (0.49) | KMT2AMAPTTDP1SMN1; SMN2KDM4E |
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 |