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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 SCHEMBL11560966 | 1.00 | MEN1 (0.53) | MEN1KMT2AMAPTTHRBHTT | |
| SCHEMBL11560956 | 0.97 | MEN1 (0.50) | MEN1KMT2AMAPTTHRBHTT | |
| Diethanolamine SCHEMBL28842690 | 0.89 | MEN1 (0.65) | MEN1KMT2AMAPTTHRBHTT | |
| SCHEMBL15271201 | 0.87 | FAAH (0.50) | EPHX2TRPV1ALDH1A1 | |
| SCHEMBL12179827 | 0.87 | FAAH (0.50) | EPHX2TRPV1 | |
| SCHEMBL15271198 | 0.87 | FAAH (0.50) | EPHX2TRPV1ALDH1A1 | |
| SCHEMBL12179809 | 0.87 | FAAH (0.50) | EPHX2TRPV1 | |
| SCHEMBL14759564 | 0.87 | FAAH (0.50) | EPHX2TRPV1 | |
| SCHEMBL12179849 | 0.87 | FAAH (0.50) | EPHX2TRPV1 | |
| SCHEMBL20017981 | 0.87 | FAAH (0.50) | EPHX2TRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4138270-A | FLAKES, FATTY ACID, FATTY ACID ALKANOLAMIDE; STORAGE STABLE, USED AS FOAMING AGENT FOR LIGHTWEIGHT FOAMED CONCRETE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1979-02-06 | — | — | US | disclosed |