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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.32 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.32 |
| ▸ | SAT1 | P21673 | 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 | |
|---|---|---|---|---|
| SCHEMBL2993954 | 0.84 | LPAR3 (0.41) | LPAR3LPAR2LPAR1 | |
| SCHEMBL18501127 | 0.81 | LPAR3 (0.34) | LPAR3LPAR2LPAR1SAT1 | |
| SCHEMBL3429685 | 0.81 | LPAR3 (0.39) | LPAR3LPAR2LPAR1SAT1 | |
| SCHEMBL16105720 | 0.72 | LPAR3 (0.48) | LPAR3LPAR2LPAR1 | |
| SCHEMBL16501559 | 0.72 | MVD (0.40) | LPAR3LPAR1 | |
| Diethanolamine SCHEMBL11883097 | 0.71 | — | — | |
| SCHEMBL17859165 | 0.71 | LPAR3 (0.44) | LPAR3LPAR2LPAR1SAT1 | |
| SCHEMBL3431778 | 0.71 | — | — | |
| SCHEMBL5964242 | 0.71 | LPAR3 (0.52) | LPAR3LPAR2LPAR1 | |
| Diethanolamine SCHEMBL11424123 | 0.70 | LPAR3 (0.72) | LPAR3LPAR2LPAR1 |
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-20110230381-A1 | DETERGENT FOR CLEANING FINS OF COOLING SYSTEM | CHEN YIN-CHI | 2011-09-22 | — | — | US | claimed |
| US-20110230381-A1 | DETERGENT FOR CLEANING FINS OF COOLING SYSTEM | CHEN YIN-CHI | 2011-09-22 | — | — | US | disclosed |