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 | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 2/20 | 0.40 |
| ▸ | FGB | P02675 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CHAT | P28329 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30233642 | 0.82 | TTR (0.75) | TTRCYP1A2AURKAAURKBNSD2 | |
| SCHEMBL6242 | 0.82 | TTR (0.75) | TTRCYP1A2AURKAAURKBNSD2 | |
| SCHEMBL29363198 | 0.82 | TTR (0.75) | TTRCYP1A2AURKAAURKBNSD2 | |
| Monoethanolamine SCHEMBL8939632 | 0.81 | TTR (0.63) | TTRCYP1A2AURKAAURKBNSD2 | |
| Alcohol SCHEMBL29144256 | 0.80 | TTR (0.62) | TTRCYP1A2AURKAAURKBNSD2 | |
| SCHEMBL11013439 | 0.80 | TTR (0.67) | TTRCYP1A2AURKAAURKBNSD2 | |
| Ammonia Solution, Strong SCHEMBL25312340 | 0.80 | TTR (0.72) | TTRCYP1A2AURKAAURKBNSD2 | |
| SCHEMBL460184 | 0.80 | TTR (0.72) | TTRCYP1A2AURKAAURKBNSD2 | |
| SCHEMBL2290618 | 0.80 | TTR (0.72) | TTRCYP1A2AURKAAURKBNSD2 | |
| Water SCHEMBL242080 | 0.80 | TTR (0.72) | TTRCYP1A2AURKAAURKBNSD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6306280-A | — | — | None | — | — | JP | disclosed |
| US-5578249-A | APPLYING A POLYANILINE TO A SUBSTRATE, DRYING AND SUBJECTING THE POLYMER TO OXIDATION AND DOPING | NITTO DENKO CORPORATION (JP) | 1996-11-26 | — | — | US | disclosed |
| JP-H06306280-A | ORGANIC POLYMER SOLUTION COMPOSITION AND PRODUCTION OF CONDUCTIVE ORGANIC POLYMER USING THE SAME | NITTO DENKO CORP | 1994-11-01 | — | — | JP | disclosed |
| EP-0579027-A1 | Organic polymer solution composition and process for producting electrically conductive organic polymer therefrom | NITTO DENKO CORPORATION (JP) | 1994-01-19 | — | — | EP | disclosed |