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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11456186 | 0.85 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4ETSHRL3MBTL1 | |
| Ethylene Glycol SCHEMBL351864 | 0.81 | TSHR (0.41) | ALDH1A1CTSKTSHRL3MBTL1HSD17B10 | |
| 1,3-Propanediol SCHEMBL7196383 | 0.76 | TSHR (0.37) | ALDH1A1LMNATSHRL3MBTL1HSD17B10 | |
| 1,4-Butanediol SCHEMBL29083545 | 0.76 | SMN1; SMN2 (0.38) | ALDH1A1LMNATSHRL3MBTL1HSD17B10 | |
| Diethanolamine SCHEMBL27730825 | 0.75 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4ETSHRL3MBTL1 | |
| Alcohol SCHEMBL5571921 | 0.75 | TSHR (0.41) | ALDH1A1KDM4ECTSKTSHRL3MBTL1 | |
| Diethanolamine SCHEMBL1134213 | 0.75 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4ETSHRL3MBTL1 | |
| Methyl Alcohol SCHEMBL28414164 | 0.74 | ALDH1A1 (0.38) | ALDH1A1KDM4EADH1BADH1CADH1A | |
| SCHEMBL24856 | 0.74 | — | — | |
| Ethylene Glycol SCHEMBL11858523 | 0.74 | TSHR (0.35) | ALDH1A1TSHR |
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-0553116-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1993-08-04 | — | — | EP | claimed |
| WO-1992006097-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1992-04-16 | — | — | WO | claimed |
| EP-0553116-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1993-08-04 | — | — | EP | disclosed |
| WO-1992006097-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1992-04-16 | — | — | WO | disclosed |