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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA6 | P23280 | 5/20 | 0.39 |
| ▸ | CA7 | P43166 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 4/20 | 0.37 |
| ▸ | CA5A | P35218 | 4/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA3 | P07451 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
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 SCHEMBL29286913 | 0.97 | CA12 (0.37) | CA12CA6CA7CA9CA14 | |
| Diethanolamine SCHEMBL11808699 | 0.88 | CA12 (0.42) | CA12CA6CA7CA9CA14 | |
| Diethanolamine SCHEMBL3263723 | 0.86 | ALDH1A1 (0.46) | MEN1KMT2AALOX15ALDH1A1LMNA | |
| Diethanolamine SCHEMBL11226566 | 0.86 | — | — | |
| Diethanolamine SCHEMBL5909029 | 0.86 | ALDH1A1 (0.46) | MEN1KMT2AALOX15ALDH1A1LMNA | |
| Diethanolamine SCHEMBL827925 | 0.83 | ALDH1A1 (0.42) | MEN1KMT2AALOX15ALDH1A1LMNA | |
| Diethanolamine SCHEMBL1336029 | 0.83 | ALDH1A1 (0.57) | CA12CA6CA7CA9CA14 | |
| Diethanolamine SCHEMBL7696519 | 0.83 | ALDH1A1 (0.43) | MEN1KMT2AALOX15ALDH1A1LMNA | |
| Diethanolamine SCHEMBL1235192 | 0.83 | CA12 (0.50) | CA12CA6CA7CA9CA14 | |
| Diethanolamine SCHEMBL8083507 | 0.83 | ALDH1A1 (0.42) | MEN1KMT2AALOX15ALDH1A1LMNA |
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-107894474-B | Method for simultaneously detecting hydroxychloroquine side chain and raw materials and intermediates thereof by gas chromatography | 上海应用技术大学 | 2020-05-12 | — | — | CN | claimed |
| CN-1197843-C | Fluorodiol and application thereof | DAINICHSEIKA COLOR & CHEMICALS (JP) | 2005-04-20 | — | — | CN | claimed |
| CN-107894474-B | Method for simultaneously detecting hydroxychloroquine side chain and raw materials and intermediates thereof by gas chromatography | 上海应用技术大学 | 2020-05-12 | — | — | CN | disclosed |
| CN-107894474-B | Method for simultaneously detecting hydroxychloroquine side chain and raw materials and intermediates thereof by gas chromatography | 上海应用技术大学 | 2020-05-12 | — | — | CN | disclosed |
| CN-1197843-C | Fluorodiol and application thereof | DAINICHSEIKA COLOR & CHEMICALS (JP) | 2005-04-20 | — | — | CN | disclosed |
| CN-1319588-A | Fluorodiol and application thereof | DAINICHSEIKA COLOR & CHEMICALS (JP) | 2001-10-31 | — | — | CN | disclosed |
| EP-0450021-B1 | ANTI-CANCER COMPOUNDS | BRITISH TECH GROUP (GB) | 1994-02-02 | — | — | EP | disclosed |
| US-5132327-A | ANTI-CANCER COMPOUNDS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-07-21 | — | — | US | disclosed |
| WO-1991005824-A1 | ANTI-CANCER COMPOUNDS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-05-02 | — | — | WO | disclosed |