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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 SCHEMBL8149872 | 0.90 | GSR (0.39) | GSRKDM4EALDH1A1TSHRPOLB | |
| Diethanolamine SCHEMBL9512712 | 0.83 | — | — | |
| Diethanolamine SCHEMBL27758557 | 0.82 | GSR (0.35) | GSRKDM4EALDH1A1 | |
| Diethanolamine SCHEMBL28560435 | 0.81 | GSR (0.38) | GSRKDM4EALDH1A1TSHRPOLB | |
| Diethanolamine SCHEMBL6928183 | 0.80 | GSR (0.34) | GSRKDM4EALDH1A1MEN1LMNA | |
| Diethanolamine SCHEMBL28966838 | 0.80 | GSR (0.34) | GSRKDM4EALDH1A1TP53ALOX15 | |
| Diethanolamine SCHEMBL2325998 | 0.79 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.79 | TSHR (0.36) | KDM4EALDH1A1TSHRPOLBL3MBTL1 | |
| Diethanolamine SCHEMBL5307430 | 0.79 | TSHR (0.36) | KDM4EALDH1A1TSHRPOLBL3MBTL1 | |
| Diethanolamine SCHEMBL8930798 | 0.79 | TSHR (0.36) | KDM4EALDH1A1TSHRPOLBL3MBTL1 |
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-117279924-A | Chemically-ligatable nuclear targeting tags | 西格马-奥尔德里奇有限责任公司 | 2023-12-22 | — | — | CN | disclosed |