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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.74 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3702185 | 0.96 | ADORA1 (0.76) | ADORA1SLC6A3 | |
| Diethanolamine SCHEMBL3690654 | 0.95 | ADORA1 (0.76) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| SCHEMBL3710188 | 0.94 | ADORA1 (0.77) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| SCHEMBL3698772 | 0.94 | ADORA1 (0.76) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| Potassium SCHEMBL3698784 | 0.94 | ADORA1 (0.76) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3696052 | 0.94 | ADORA1 (0.76) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| SCHEMBL3706665 | 0.94 | ADORA1 (0.76) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| SCHEMBL3706652 | 0.94 | ADORA1 (0.76) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| SCHEMBL3704835 | 0.93 | ADORA1 (0.77) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 | |
| SCHEMBL7642574 | 0.90 | ADORA1 (0.78) | ADORA1SLC6A3KDM4EMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120122820-A1 | PRODRUGS AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT | 2012-05-17 | — | — | US | disclosed |
| EP-2185551-A2 | PRODRUGS OF 2-AMINO-6-( { [2-(4-CHLORPHENYL)-1,3-THIAZOL-4-YL] METHYL}THIO)-4-[4-(2-HY-DROXYETHOXY) PHENYL] PYRIDIN-3, 5-DICARBONITRILE | Bayer Schering Pharma AG (DE) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009015812-A2 | PRODRUGS OF 2-AMINO-6- ( { [2- (4-CHLORPHENYL) -1, 3-THIAZ0L-4-YL] METHYL}THIO) -4- [4- ( 2 -HYDROXYETHOXY) PHENYL] PYRIDIN-3, 5-DICARBONITRILE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-02-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120122820-A1 | PRODRUGS AND THE USE THEREOF | TPMT, DPP4, PYGL | ADORA1 1087/4885SLC6A3 825/4885KDM4E 987/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.