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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
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 SCHEMBL1830524 | 1.00 | FFAR3 (0.56) | FFAR3ALDH1A1KDM4ELDHASRR | |
| Diethanolamine SCHEMBL27829119 | 0.97 | FFAR3 (0.53) | FFAR3ALDH1A1KDM4ELDHASRR | |
| Propionic Acid SCHEMBL5025371 | 0.93 | FFAR3 (0.48) | FFAR3ALDH1A1KDM4EPOLBHDAC3 | |
| Diethanolamine SCHEMBL28869928 | 0.91 | FFAR3 (0.46) | FFAR3ALDH1A1KDM4EPOLBMEN1 | |
| Propionic Acid SCHEMBL28167804 | 0.90 | FFAR3 (0.50) | FFAR3ALDH1A1LDHASRRPOLB | |
| Propionic Acid SCHEMBL5027753 | 0.89 | TSHR (0.44) | FFAR3ALDH1A1KDM4EPAOXTSHR | |
| Diethanolamine SCHEMBL29213589 | 0.83 | ALDH1A1 (0.56) | FFAR3ALDH1A1KDM4EPOLBMEN1 | |
| Diethanolamine SCHEMBL502768 | 0.82 | FFAR3 (0.44) | FFAR3ALDH1A1KDM4EPOLBMEN1 | |
| Diethanolamine SCHEMBL1682232 | 0.82 | LDHA (0.39) | ALDH1A1KDM4ELDHASRRPOLB | |
| Malonic Acid SCHEMBL5875293 | 0.82 | LDHA (0.56) | ALDH1A1KDM4ELDHASRRPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-117487091-A | Early-strength polycarboxylate superplasticizer and preparation method thereof | 中建西部建设新材料科技有限公司 | 2024-02-02 | — | — | CN | disclosed |