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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 5/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL2455028 | 0.84 | TBXAS1 (0.50) | QPCTTBXAS1ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL7609697 | 0.83 | TBXAS1 (0.50) | QPCTTBXAS1CA12CA1CA2 | |
| SCHEMBL12350 | 0.82 | — | — | |
| SCHEMBL28260553 | 0.81 | ALDH1A1 (0.42) | QPCTTBXAS1CA12CA1CA2 | |
| Bromide SCHEMBL557686 | 0.80 | — | — | |
| Fluoride SCHEMBL4952172 | 0.80 | — | — | |
| Iodide SCHEMBL633201 | 0.80 | — | — | |
| SCHEMBL16694202 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL10665617 | 0.80 | — | — | |
| SCHEMBL30859452 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117285570-A | Molybdic acid ester ionic liquid, preparation method thereof and application thereof in water-based lubricant | 辽宁大学 | 2023-12-26 | — | — | CN | disclosed |