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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.52 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344661 | 0.89 | HCAR3 (0.58) | HCAR3KAT2BMAPTL3MBTL1MEN1 | |
| Diethanolamine SCHEMBL198856 | 0.86 | KAT2B (0.60) | KAT2BMAPTL3MBTL1MEN1KMT2A | |
| Diethanolamine SCHEMBL198603 | 0.82 | KAT2B (0.64) | KAT2BMAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL29390623 | 0.81 | KAT2B (0.66) | KAT2BMAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL110446 | 0.81 | KAT2B (0.66) | KAT2BMAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL2661518 | 0.81 | KAT2B (0.51) | HCAR3KAT2BMAPTL3MBTL1MEN1 | |
| Hydrochloric Acid SCHEMBL27635117 | 0.79 | KAT2B (0.67) | KAT2BMAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL8647822 | 0.79 | KAT2B (0.60) | KAT2BMAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL20811016 | 0.78 | KAT2B (0.57) | KAT2BMAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL8654854 | 0.77 | KAT2B (0.66) | KAT2BMAPTL3MBTL1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0671900-B1 | ALLYLAMINO-NITROAROMATES | HENKEL KGAA (DE) | 1996-08-14 | — | — | EP | disclosed |