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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 SCHEMBL9790976 | 0.97 | FFAR3 (0.44) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Diethanolamine SCHEMBL502768 | 0.97 | FFAR3 (0.44) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Diethanolamine SCHEMBL11454426 | 0.94 | FFAR3 (0.41) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL3927926 | 0.94 | FYN (0.41) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL3841810 | 0.94 | FYN (0.41) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Diethanolamine SCHEMBL29053961 | 0.94 | FFAR3 (0.41) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL3929709 | 0.94 | FYN (0.41) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Diethanolamine SCHEMBL28479522 | 0.88 | LMNA (0.40) | KDM4EALDH1A1MEN1KMT2AUSP2 | |
| Diethanolamine SCHEMBL8742421 | 0.87 | PAOX (0.42) | FFAR3LCKFYNKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL8948343 | 0.87 | PAOX (0.40) | FFAR3LCKFYNKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2150555-A1 | A ZINC COMPLEX, PROCESS FOR PREPARING THEREOF AND A METHOD FOR TREATING FABRIC THEREWITH | Unilever PLC (GB) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008148610-A1 | A ZINC COMPLEX, PROCESS FOR PREPARING THEREOF AND A METHOD FOR TREATING FABRIC THEREWITH | UNILEVER PLC (GB) | 2008-12-11 | — | — | WO | disclosed |