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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| SCHEMBL299242 | 0.89 | CA12 (0.40) | ALDH1A1HSD17B10TP53TSHRALOX15 | |
| SCHEMBL7127237 | 0.89 | CYP2C19 (0.37) | ALDH1A1HSD17B10TSHRCA12CA14 | |
| SCHEMBL27990209 | 0.86 | ALDH1A1 (0.48) | ALDH1A1TSHRCA12CA14 | |
| Sulfuric Acid Dimethyl Ester SCHEMBL27650664 | 0.85 | TSHR (0.35) | ALDH1A1HSD17B10TP53TSHRALOX15 | |
| Diethanolamine SCHEMBL1829927 | 0.84 | CA2 (0.42) | ALDH1A1HSD17B10TP53TSHRALOX15 | |
| Diethanolamine SCHEMBL21596422 | 0.84 | CA2 (0.42) | ALDH1A1HSD17B10TP53TSHRALOX15 | |
| SCHEMBL1435272 | 0.83 | CA12 (0.31) | CA12CA14LMNATDP1 | |
| Diethanolamine SCHEMBL8506349 | 0.82 | TP53 (0.32) | ALDH1A1HSD17B10TP53ALOX15L3MBTL1 | |
| Diethanolamine SCHEMBL1022769 | 0.81 | CA5A (0.40) | ALDH1A1HSD17B10TP53ALOX15L3MBTL1 | |
| Diethanolamine SCHEMBL5874489 | 0.81 | CA5A (0.40) | ALDH1A1HSD17B10TP53ALOX15L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523583-B2 | Catholyte for the coulometric Karl Fischer titration of water | RIEDEL DE HAEN AG (DE) | 2004-01-14 | — | — | EP | disclosed |
| EP-0523583-B1 | Catholyte for the coulometric Karl Fischer titration of water | RIEDEL DE HAEN AG (DE) | 1997-09-10 | — | — | EP | disclosed |
| US-5292413-A | Catholyte for the Karl Fischer coulometric water determination | RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) | 1994-03-08 | — | — | US | disclosed |
| EP-0523583-A1 | Catholyte for the coulometric Karl Fischer titration of water | RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) | 1993-01-20 | — | — | EP | disclosed |