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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | SAT1 | P21673 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 SCHEMBL5026621 | 0.88 | S1PR2 (0.34) | CA2SAT1S1PR2S1PR4S1PR1 | |
| Diethanolamine SCHEMBL1831509 | 0.88 | S1PR2 (0.34) | CA2SAT1S1PR2S1PR4S1PR1 | |
| Diethanolamine SCHEMBL75329 | 0.88 | S1PR2 (0.34) | CA2SAT1S1PR2S1PR4S1PR1 | |
| Diethanolamine SCHEMBL1833785 | 0.88 | S1PR2 (0.34) | CA2SAT1S1PR2S1PR4S1PR1 | |
| Diethanolamine SCHEMBL5926107 | 0.85 | S1PR2 (0.33) | CA2SAT1S1PR2S1PR4S1PR1 | |
| Diethanolamine SCHEMBL28778982 | 0.83 | S1PR2 (0.43) | SAT1S1PR2S1PR4S1PR1S1PR3 | |
| Diethanolamine SCHEMBL28279676 | 0.81 | FFAR3 (0.35) | CA2S1PR2S1PR4S1PR1S1PR3 | |
| Phosphoric Acid SCHEMBL27548473 | 0.81 | ANPEP (0.47) | SAT1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL2045907 | 0.80 | S1PR2 (0.45) | S1PR2S1PR4S1PR1S1PR3S1PR5 | |
| Pyrophosphoric Acid SCHEMBL15109956 | 0.78 | FDPS (0.53) | SAT1S1PR2S1PR4S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-120019527-A | Battery potting material with improved metal adhesion | 巴斯夫欧洲公司 | 2025-05-16 | — | — | CN | disclosed |
| CN-102089389-A | Process for preparing polyol dispersions | BASF SE | 2011-06-08 | — | — | CN | disclosed |
| US-5880209-A | POLYESTERURETHANE COPOLYMERS WITH NEUTRALIZED ACID GROUPS | HERBERTS GMBH (DE) | 1999-03-09 | — | — | US | disclosed |