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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 2/20 | 0.31 |
| ▸ | CA5A | P35218 | 2/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL244234 | 0.82 | PGR (0.33) | CA2CA9CA1 | |
| Monoethanolamine SCHEMBL21629309 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL28569774 | 0.78 | ATR (0.32) | — | |
| Diethanolamine SCHEMBL29737132 | 0.74 | CA1 (0.48) | CA2CA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL1834681 | 0.73 | CA2 (0.40) | CA3CA5ACA5BCA2CA12 | |
| SCHEMBL10309464 | 0.73 | PGR (0.33) | — | |
| SCHEMBL25594038 | 0.71 | PGR (0.32) | — | |
| Diethanolamine SCHEMBL1022769 | 0.69 | CA5A (0.40) | CA5ACA5BCA2CA1 | |
| Diethanolamine SCHEMBL5874489 | 0.69 | CA5A (0.40) | CA5ACA5BCA2CA1 | |
| SCHEMBL6466187 | 0.69 | CA1 (0.40) | CA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200030716-A1 | TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2020-01-30 | — | — | US | claimed |
| US-20200030716-A1 | TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2020-01-30 | — | — | US | disclosed |
| WO-2020023752-A1 | TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2020-01-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200030716-A1 | TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY | SOD1, SOD3, SLC39A11 | CA3 164/4885CA5A 2710/4885CA5B 2020/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.