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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Urethane SCHEMBL28888854 | 0.84 | ALOX15 (0.83) | ALOX15GAAMGAMSIMGAM2 | |
| Urethane SCHEMBL1450092 | 0.84 | ALOX15 (0.83) | ALOX15GAAMGAMSIMGAM2 | |
| Urethane SCHEMBL27840776 | 0.81 | ALOX15 (0.79) | ALOX15GAAMGAMSIMGAM2 | |
| Urethane SCHEMBL1348576 | 0.81 | ALOX15 (0.79) | ALOX15GAAMGAMSIMGAM2 | |
| Urethane SCHEMBL10413191 | 0.81 | ALOX15 (0.79) | ALOX15GAAMGAMSIMGAM2 | |
| Diethanolamine SCHEMBL9587569 | 0.81 | ALDH1A1 (0.38) | ALOX15ALDH1A1LMNAHSD17B10TSHR | |
| Urethane SCHEMBL28110737 | 0.81 | — | — | |
| Urethane SCHEMBL462241 | 0.81 | — | — | |
| Urethane SCHEMBL6096001 | 0.81 | ALOX15 (0.62) | ALOX15GAAMGAMSIMGAM2 | |
| Urethane SCHEMBL8136 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377825-B1 | METHOD FOR DOSING DIETHANOLAMINE IN AQUEOUS SOLUTION | TOTALFINAELF FRANCE (FR) | 2008-02-20 | — | — | EP | claimed |