Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Monoethanolamine. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28228348 | 0.95 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL1894338 | 0.88 | ATM (0.50) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL16803442 | 0.86 | ATM (0.48) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL1002719 | 0.86 | ATM (0.48) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL11250885 | 0.86 | ATM (0.48) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL11259780 | 0.84 | ATM (0.46) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL1899746 | 0.84 | — | — | |
| SCHEMBL14417884 | 0.80 | KDM4E (0.54) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL15431972 | 0.73 | CA2 (0.46) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL15451944 | 0.73 | KMT2A (0.50) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E |
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-105906574-A | Synthetic method of 2, 5-diphenylpyrazine | 合肥祥晨化工有限公司 | 2016-08-31 | — | — | CN | disclosed |