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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 3/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23056421 | 0.92 | KMT2A (0.54) | KMT2AP2RX7MAPK1L3MBTL1MEN1 | |
| Diethanolamine SCHEMBL5151297 | 0.84 | ITGB3 (0.58) | PPARGPPARAITGB3ITGA2BCTSS | |
| SCHEMBL15110005 | 0.84 | CTSS (0.58) | KMT2AP2RX7MAPK1L3MBTL1MEN1 | |
| SCHEMBL5148991 | 0.83 | KMT2A (0.52) | KMT2AMAPK1L3MBTL1HRH2HRH1 | |
| SCHEMBL5712275 | 0.83 | KMT2A (0.54) | KMT2AMAPK1L3MBTL1HRH2HRH1 | |
| SCHEMBL13747416 | 0.83 | CTSS (0.59) | KMT2AP2RX7MAPK1L3MBTL1HRH2 | |
| SCHEMBL4419865 | 0.83 | P2RX7 (0.54) | KMT2AP2RX7MAPK1L3MBTL1HRH2 | |
| SCHEMBL4900321 | 0.82 | KMT2A (0.67) | KMT2AMAPK1L3MBTL1HRH2HRH1 | |
| SCHEMBL5408063 | 0.82 | KMT2A (0.67) | KMT2AMAPK1L3MBTL1HRH2HRH1 | |
| SCHEMBL7544578 | 0.82 | CTSS (0.61) | KMT2AP2RX7MAPK1L3MBTL1HRH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373233-B1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI AVENTIS (FR) | 2007-09-05 | — | — | EP | disclosed |
| US-7157454-B2 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2007-01-02 | — | — | US | disclosed |
| US-20040116353-A1 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI (FR) | 2004-06-17 | — | — | US | disclosed |
| EP-1373233-A1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Sanofi-Aventis (FR) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002076964-A1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-10-03 | — | — | WO | disclosed |