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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 SCHEMBL20542044 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1 | |
| Diethanolamine SCHEMBL8824865 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1 | |
| Diethanolamine SCHEMBL9901053 | 0.81 | CA5A (0.47) | ALDH1A1TDP1 | |
| Diethanolamine SCHEMBL8754524 | 0.81 | CA5A (0.47) | ALDH1A1TDP1 | |
| Diethanolamine SCHEMBL1585206 | 0.81 | CA5A (0.47) | ALDH1A1TDP1 | |
| Nitric Acid SCHEMBL30555522 | 0.81 | PAOX (0.38) | TSHRALDH1A1TDP1 | |
| Nitric Acid SCHEMBL15789388 | 0.78 | CA5A (0.38) | TSHRALDH1A1TDP1GAA | |
| Diethanolamine SCHEMBL28907123 | 0.78 | ALDH1A1 (0.35) | TSHRALDH1A1TDP1 | |
| Nitroethane SCHEMBL9602682 | 0.78 | — | — | |
| SCHEMBL18092819 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750802-A | (1R*, 2S)-1-phenyl-2-nitroalcohols and method for producing same | AMVAC CHEMICAL CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |