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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GSR | P00390 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 SCHEMBL28428109 | 0.96 | SMN1; SMN2 (0.35) | TSHRTP53CYP2C19L3MBTL1ALOX15 | |
| Diethanolamine SCHEMBL2325998 | 0.88 | — | — | |
| Diethanolamine SCHEMBL5843119 | 0.88 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.88 | TSHR (0.36) | TSHRTP53CYP2C19L3MBTL1ALOX15 | |
| Diethanolamine SCHEMBL2324 | 0.88 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.88 | TSHR (0.36) | TSHRTP53CYP2C19L3MBTL1ALOX15 | |
| Diethanolamine SCHEMBL8930798 | 0.88 | TSHR (0.36) | TSHRTP53CYP2C19L3MBTL1ALOX15 | |
| Dimethylamine SCHEMBL27698259 | 0.87 | PAOX (0.39) | TSHRTP53CYP2C19L3MBTL1ALOX15 | |
| Diethanolamine SCHEMBL7255715 | 0.86 | TSHR (0.32) | TSHRTP53CYP2C19L3MBTL1ALOX15 | |
| Diethanolamine SCHEMBL11301457 | 0.85 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115697062-A | Selective herbicides based on substituted isoxazoline carboxamides and bisbenzoxazoic acids | 拜耳公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-115666246-A | Selective herbicides based on substituted isoxazoline carboxamides and oxadiazons | 拜耳公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-105764337-A | Stabilized low-concentration metsulfuron-methyl liquid composition | 杜邦公司 | 2016-07-13 | — | — | CN | disclosed |
| US-20100261609-A1 | Phenoxy Alkanoate Herbicidal Composition and Method of Preparation and Use | Nufarm Australia Limited, an Australian Company (AU) | 2010-10-14 | — | — | US | disclosed |
| EP-2040551-A1 | PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE | NUFARM AUSTRALIA LIMITED (AU) | 2009-04-01 | — | — | EP | disclosed |
| WO-2007147208-A1 | PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE | NUFARM AUSTRALIA LIMITED (AU) | 2007-12-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100261609-A1 | Phenoxy Alkanoate Herbicidal Composition and Method of Preparation and Use | DDT, ALKBH3, PAOX | TSHR 2103/4885TP53 3109/4885CYP2C19 182/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.