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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL170211 | 0.78 | ALDH1A1 (0.39) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| Diethanolamine SCHEMBL27617645 | 0.75 | KDM4E (0.37) | KDM4EPOLBLMNAMEN1KMT2A | |
| Diethanolamine SCHEMBL11818824 | 0.74 | ALDH1A1 (0.56) | KDM4EPOLBLMNAMEN1KMT2A | |
| Diethanolamine SCHEMBL502768 | 0.73 | FFAR3 (0.44) | KDM4EPOLBLMNAMEN1KMT2A | |
| Diethanolamine SCHEMBL9790976 | 0.73 | FFAR3 (0.44) | KDM4EPOLBLMNAMEN1KMT2A | |
| Diethanolamine SCHEMBL25307382 | 0.73 | KDM4E (0.36) | KDM4EPOLBLMNAMEN1KMT2A | |
| Diethanolamine SCHEMBL2890527 | 0.72 | TSHR (0.42) | KDM4EPOLBLMNAKMT2ATSHR | |
| Diethanolamine SCHEMBL1832822 | 0.72 | KDM4E (0.39) | KDM4EPOLBLMNAMEN1KMT2A | |
| Diethanolamine SCHEMBL1833343 | 0.72 | KDM4E (0.39) | KDM4EPOLBLMNAMEN1KMT2A | |
| Diethanolamine SCHEMBL9587569 | 0.72 | ALDH1A1 (0.38) | KDM4EPOLBLMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0004113-B1 | DETERGENT COMPOSITIONS CONTAINING MODIFIED (CAPPED) SILICATES | THE PROCTER & GAMBLE COMPANY (US) | 1982-10-27 | — | — | EP | disclosed |
| EP-0004112-B1 | MODIFIED SILICATES | THE PROCTER & GAMBLE COMPANY (US) | 1982-08-11 | — | — | EP | disclosed |
| EP-0004113-A2 | Detergent compositions containing modified (capped) silicates | THE PROCTER & GAMBLE COMPANY (US) | 1979-09-19 | — | — | EP | disclosed |
| EP-0004112-A2 | Modified silicates | THE PROCTER & GAMBLE COMPANY (US) | 1979-09-19 | — | — | EP | disclosed |
| US-4157978-A | ENDCAPPED WITH AN ACYLATED METAL GROUP, DETERGENTS | THE PROCTER & GAMBLE COMPANY (US) | 1979-06-12 | — | — | US | disclosed |