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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP7 | Q9UHL4 | 10/20 | 0.49 |
| ▸ | DPP4 | P27487 | 4/20 | 0.49 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.49 |
| ▸ | FAP | Q12884 | 2/20 | 0.49 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.49 |
| ▸ | AKT1 | P31749 | 3/20 | 0.48 |
| ▸ | AKT2 | P31751 | 1/20 | 0.48 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL15382612 | 0.89 | DPP4 (0.57) | DPP7DPP4DPP8FAPDPP9 | |
| SCHEMBL23211269 | 0.89 | DPP4 (0.57) | DPP7DPP4DPP8FAPDPP9 | |
| SCHEMBL23211354 | 0.88 | DPP7 (0.56) | DPP7DPP4DPP8FAPDPP9 | |
| SCHEMBL23211353 | 0.88 | DPP7 (0.56) | DPP7DPP4DPP8FAPDPP9 | |
| SCHEMBL23211484 | 0.87 | DPP4 (0.57) | DPP7DPP4DPP8FAPDPP9 | |
| SCHEMBL23211486 | 0.87 | DPP4 (0.57) | DPP7DPP4DPP8FAPDPP9 | |
| SCHEMBL22255187 | 0.78 | DPP4 (0.58) | DPP7DPP4DPP8FAPDPP9 | |
| Diethanolamine SCHEMBL5148963 | 0.77 | KMT2A (0.49) | — | |
| SCHEMBL14390395 | 0.77 | HDAC8 (0.67) | DPP7DPP4HDAC8 | |
| Diethanolamine SCHEMBL5151673 | 0.76 | TPH1 (0.40) | DPP7DPP4DPP8FAPDPP9 |
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 3 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 |
| 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 |