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 | |
|---|---|---|---|---|
| ▸ | SOAT1 | P35610 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | FAAH | O00519 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | SELP | P16109 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Octadecanoic Acid Amide SCHEMBL368172 | 1.00 | SOAT1 (0.55) | SOAT1MEN1KMT2AFAAHTP53 | |
| Diethanolamine SCHEMBL6763687 | 1.00 | SOAT1 (0.55) | SOAT1MEN1KMT2AFAAHTP53 | |
| Diethanolamine SCHEMBL27378824 | 0.98 | SOAT1 (0.52) | SOAT1MEN1KMT2AFAAHTP53 | |
| Octadecanoic Acid Amide SCHEMBL8198428 | 0.94 | SOAT1 (0.50) | SOAT1MEN1KMT2AFAAHTP53 | |
| Octadecanoic Acid Amide SCHEMBL11883762 | 0.94 | SOAT1 (0.50) | SOAT1MEN1KMT2AFAAHTP53 | |
| Stearic Acid SCHEMBL8816310 | 0.93 | GPR84 (0.59) | MEN1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| Diethanolamine SCHEMBL28705331 | 0.91 | NAAA (0.49) | SOAT1MEN1KMT2AFAAHTP53 | |
| Oleamide SCHEMBL69329 | 0.90 | FAAH (0.74) | SOAT1MEN1KMT2AFAAHTP53 | |
| Oleamide SCHEMBL69330 | 0.90 | FAAH (0.74) | SOAT1MEN1KMT2AFAAHTP53 | |
| Octadecanoic Acid Amide SCHEMBL27548471 | 0.90 | SOAT1 (0.46) | SOAT1MEN1KMT2AFAAHTP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101442908-B | The tick of preparation and insect repellent composition | 纳幕尔杜邦公司 | 2016-09-28 | — | — | CN | disclosed |