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 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 8/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9767592 | 0.92 | ALDH1A1 (0.57) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| SCHEMBL10724630 | 0.91 | ALDH1A1 (0.56) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| SCHEMBL10812533 | 0.91 | ALDH1A1 (0.56) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| Monoethanolamine SCHEMBL10987346 | 0.90 | ALDH1A1 (0.51) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| Ethylenediamine SCHEMBL10816953 | 0.88 | ALDH1A1 (0.53) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| SCHEMBL10814770 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| SCHEMBL11210390 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| SCHEMBL9352330 | 0.86 | FEN1 (0.51) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| SCHEMBL9348282 | 0.85 | FEN1 (0.50) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 | |
| SCHEMBL9351767 | 0.85 | FEN1 (0.54) | ALDH1A1KDM4ECYP2C19HPGDCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0092786-B1 | 1,8-NAPHTHYRIDINE AND 1,5,8-AZANAPHTHYRIDINE DERIVATIVES | SCHERING CORPORATION (US) | 1987-01-07 | — | — | EP | disclosed |
| US-4551463-A | ANTIULCER | SCHERING CORPORATION (US) | 1985-11-05 | — | — | US | disclosed |
| US-4452800-A | ANTIALLERGENS, ANTIHISTAMINES, ANTIANAPHYLACTIC AGENTS | SCHERING CORPORATION (US) | 1984-06-05 | — | — | US | disclosed |