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 | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.58 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.58 |
| ▸ | PPARA | Q07869 | 6/20 | 0.56 |
| ▸ | PPARG | P37231 | 5/20 | 0.56 |
| ▸ | ACE | P12821 | 1/20 | 0.56 |
| ▸ | CTSS | P25774 | 6/20 | 0.50 |
| ▸ | CTSK | P43235 | 5/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.50 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.47 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5061931 | 0.91 | PPARA (0.65) | ITGB3ITGA2BPPARAPPARGACE | |
| SCHEMBL25672 | 0.91 | PPARA (0.65) | ITGB3ITGA2BPPARAPPARGACE | |
| SCHEMBL1458942 | 0.91 | PPARA (0.65) | ITGB3ITGA2BPPARAPPARGACE | |
| Diethanolamine SCHEMBL5150995 | 0.88 | PPARG (0.47) | ITGB3ITGA2BPPARAPPARGACE | |
| Diethanolamine SCHEMBL5148963 | 0.84 | KMT2A (0.49) | ITGB3ITGA2BPPARAPPARGACE | |
| SCHEMBL18262439 | 0.84 | ACE (0.61) | ITGB3ITGA2BPPARAPPARGACE | |
| SCHEMBL18262437 | 0.84 | ACE (0.61) | ITGB3ITGA2BPPARAPPARGACE | |
| SCHEMBL1368751 | 0.83 | ACE (0.64) | ITGB3ITGA2BPPARAPPARGACE | |
| SCHEMBL1368753 | 0.83 | ACE (0.64) | ITGB3ITGA2BPPARAPPARGACE | |
| SCHEMBL25284980 | 0.81 | ACE (0.64) | ITGB3ITGA2BPPARAPPARGACE |
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 |
|---|---|---|---|---|---|---|---|
| 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 |