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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.32 |
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 SCHEMBL1834267 | 0.97 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Diethanolamine SCHEMBL1401642 | 0.97 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Diethanolamine SCHEMBL27404185 | 0.92 | KDM4E (0.42) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Diethanolamine SCHEMBL30231435 | 0.90 | KDM4E (0.38) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Diethanolamine SCHEMBL1832822 | 0.87 | KDM4E (0.39) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Diethanolamine SCHEMBL1833343 | 0.87 | KDM4E (0.39) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Diethanolamine SCHEMBL29053961 | 0.85 | FFAR3 (0.41) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Bicarbonate SCHEMBL4329497 | 0.84 | SMN1; SMN2 (0.39) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Oxalic Acid SCHEMBL27893826 | 0.84 | CA12 (0.50) | KDM4EALDH1A1SMN1; SMN2HTTNPC1 | |
| Diethanolamine SCHEMBL1500432 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1105498-C | Liquid composition for stabilizing amino acid series herbicides | KAO CORP (JP) | 2003-04-16 | — | — | CN | disclosed |
| CN-1077768-C | Liquid composition for stabilizing bipyridinium series herbicides | KAO CORP (JP) | 2002-01-16 | — | — | CN | disclosed |
| CN-1164814-A | Liquid composition for stabilizing bipyridinium series herbicides | KAO CORP (JP) | 1997-11-12 | — | — | CN | disclosed |
| CN-1164815-A | Liquid composition for stabilizing amino acid series herbicides | KAO CORP (JP) | 1997-11-12 | — | — | CN | disclosed |
| EP-0777416-A1 | LIQUID COMPOSITION FOR STABILIZING BIPYRIDINIUM SERIES HERBICIDES | Kao Corporation (JP) | 1997-06-11 | — | — | EP | disclosed |