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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | 0.94 | ALDH1A1 (0.41) | ALDH1A1TDP1KMT2AMEN1CA5A | |
| Diethanolamine SCHEMBL28193120 | 0.89 | CA5A (0.42) | ALDH1A1TDP1KMT2AMEN1CA5A | |
| Diethanolamine SCHEMBL9901053 | 0.88 | CA5A (0.47) | ALDH1A1TDP1KMT2ACA5ACA5B | |
| Diethanolamine SCHEMBL8754524 | 0.88 | CA5A (0.47) | ALDH1A1TDP1KMT2ACA5ACA5B | |
| Diethanolamine SCHEMBL8668340 | 0.81 | TSHR (0.55) | ALDH1A1TDP1 | |
| SCHEMBL18092819 | 0.78 | — | — | |
| Ethylene Glycol SCHEMBL28274699 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TDP1KMT2AMEN1CA5A | |
| Diethanolamine SCHEMBL23363665 | 0.77 | TSHR (0.36) | ALDH1A1TDP1KMT2AMEN1CA5B | |
| Diethanolamine SCHEMBL5843119 | 0.77 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.77 | TSHR (0.36) | ALDH1A1TDP1KMT2AMEN1CA5B |
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-5635668-A | Gas generant compositions containing copper nitrate complexes | MORTON INTERNATIONAL, INC. (US) | 1997-06-03 | — | — | US | disclosed |