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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 SCHEMBL9560408 | 0.97 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2D6TSHRTP53 | |
| Diethanolamine SCHEMBL10629931 | 0.85 | PPARD (0.40) | ALDH1A1CYP1A2CYP2D6TSHRL3MBTL1 | |
| SCHEMBL7712786 | 0.84 | — | — | |
| Ether SCHEMBL188032 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL8943279 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL11081 | 0.82 | — | — | |
| Ether SCHEMBL10536028 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10MAPK1 | |
| Ether SCHEMBL118077 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10MAPK1 | |
| SCHEMBL7056190 | 0.81 | — | — | |
| SCHEMBL15965448 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRTP53 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110117165-B | Cement additive composition, method for producing same, and cement composition | 乐天化学株式会社 | 2022-09-09 | — | — | CN | claimed |
| CN-110117165-B | Cement additive composition, method for producing same, and cement composition | 乐天化学株式会社 | 2022-09-09 | — | — | CN | disclosed |
| US-9035099-B2 | Process for making ethoxylated amine compounds | DOW GLOBAL TECHNOLOGIES LLC | 2015-05-19 | — | — | US | disclosed |
| EP-2794551-A1 | IMPROVED PROCESS FOR MAKING ETHOXYLATED AMINE COMPOUNDS | Dow Global Technologies LLC (US) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013095875-A1 | IMPROVED PROCESS FOR MAKING ETHOXYLATED AMINE COMPOUNDS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-06-27 | — | — | WO | disclosed |
| EP-0695288-A1 | IMPROVED PROCESSES FOR MAKING ETHANOLAMINES | THE DOW CHEMICAL COMPANY (US) | 1996-02-07 | — | — | EP | disclosed |
| US-5395973-A | Reaction of ethylene oxide and ammonia using carbon dioxide for byproduct inhibition | THE DOW CHEMICAL COMPANY (US) | 1995-03-07 | — | — | US | disclosed |
| WO-1994024089-A1 | IMPROVED PROCESSES FOR MAKING ETHANOLAMINES | THE DOW CHEMICAL COMPANY (US) | 1994-10-27 | — | — | WO | disclosed |
| US-5334763-A | Feeding carbon dioxide with ethylene oxide and ammonia reactants to reduce amount of ethoxylated amine byproducts | THE DOW CHEMICAL COMPANY (US) | 1994-08-02 | — | — | US | disclosed |