Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Monoethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | LPAR3 | Q9UBY5 | 5/20 | 0.47 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.47 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5455630 | 0.91 | CYP3A4 (0.55) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL1408422 | 0.89 | CYP3A4 (0.67) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| Ammonia Solution, Strong SCHEMBL11785218 | 0.87 | CYP3A4 (0.64) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| Monoethanolamine SCHEMBL5455622 | 0.86 | LPAR3 (0.47) | CYP3A4LPAR3LPAR1LPAR2GABBR2 | |
| SCHEMBL11801496 | 0.85 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL27446954 | 0.85 | CYP3A4 (0.67) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL7651599 | 0.84 | LPAR3 (0.68) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL27817486 | 0.84 | LPAR3 (0.68) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL1582975 | 0.83 | LPAR3 (0.67) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL21694832 | 0.83 | CYP3A4 (0.58) | CYP3A4LPAR3LPAR1LPAR2TSHR |
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-20070210476-A1 | Machinable Resin Molded Product, Material For Forming The Same, And Model Made Of The Same | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2007-09-13 | — | — | US | disclosed |
| EP-1728832-A1 | MOLDING OF RESIN FOR CUTTING OPERATION, MATERIAL FOR FORMATION THEREOF AND MODEL | Sanyo Chemical Industries, Ltd. (JP) | 2006-12-06 | — | — | EP | disclosed |