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 | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | CASP2 | P42575 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8519620 | 0.93 | ALDH1A1 (0.54) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| SCHEMBL29025792 | 0.93 | ALDH1A1 (0.54) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| SCHEMBL8170763 | 0.93 | ALDH1A1 (0.54) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| SCHEMBL28356564 | 0.93 | ALDH1A1 (0.54) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| SCHEMBL29113797 | 0.93 | ALDH1A1 (0.54) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| Octadecanoic Acid Amide SCHEMBL368172 | 0.91 | SOAT1 (0.55) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| Diethanolamine SCHEMBL6763687 | 0.91 | SOAT1 (0.55) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| Diethanolamine SCHEMBL28070607 | 0.91 | SOAT1 (0.55) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| SCHEMBL7765758 | 0.91 | ALDH1A1 (0.56) | NAAAALDH1A1TSHRSOAT1MEN1 | |
| SCHEMBL31614704 | 0.89 | ALDH1A1 (0.50) | NAAAALDH1A1TSHRSOAT1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114105809-B | N-alkyl amide surfactant and preparation method and application thereof | 山东新港化工有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-114105809-A | N-alkyl amide surfactant and preparation method and application thereof | 山东新港化工有限公司 | 2022-03-01 | — | — | CN | disclosed |