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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL8961797 | 0.97 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2D6TSHRTP53 | |
| Diethanolamine SCHEMBL10629931 | 0.88 | PPARD (0.40) | ALDH1A1CYP1A2CYP2D6TSHRL3MBTL1 | |
| SCHEMBL7712786 | 0.87 | — | — | |
| SCHEMBL7056190 | 0.83 | — | — | |
| SCHEMBL29098152 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRTP53 | |
| SCHEMBL15965448 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRTP53 | |
| SCHEMBL15965438 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRTP53 | |
| SCHEMBL28564770 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRTP53 | |
| Diethanolamine SCHEMBL3263723 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2D6TSHRTP53 | |
| Diethanolamine SCHEMBL5909029 | 0.81 | ALDH1A1 (0.46) | 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 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 |