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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 8/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 7/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SAT1 | P21673 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.34 |
| ▸ | LAP3 | P28838 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL8508331 | 0.83 | CA2 (0.47) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Diethanolamine SCHEMBL1831509 | 0.83 | S1PR2 (0.34) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Diethanolamine SCHEMBL5026621 | 0.83 | S1PR2 (0.34) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Diethanolamine SCHEMBL1833785 | 0.83 | S1PR2 (0.34) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Diethanolamine SCHEMBL75329 | 0.83 | S1PR2 (0.34) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Phosphoric Acid SCHEMBL27548473 | 0.82 | ANPEP (0.47) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL2045907 | 0.81 | S1PR2 (0.45) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Diethanolamine SCHEMBL5926107 | 0.80 | S1PR2 (0.33) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Phosphoric Acid SCHEMBL28761161 | 0.79 | SAT1 (0.44) | S1PR2S1PR1S1PR3S1PR4S1PR5 | |
| Phosphoric Acid SCHEMBL8727127 | 0.79 | SAT1 (0.44) | S1PR2S1PR1S1PR3S1PR4S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101535322-B | Polyfluoroether-based phosphates | DU PONT | 2012-09-26 | — | — | CN | disclosed |
| CN-101535322-A | Polyfluoroether-based phosphates | DU PONT (US) | 2009-09-16 | — | — | CN | disclosed |