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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL900884 | 0.83 | PTGS1 (0.36) | AKR1C3CYP2C9PTGS1 | |
| Ethylene Glycol SCHEMBL7048051 | 0.83 | PTGS1 (0.36) | AKR1C3CYP2C9PTGS1 | |
| Ethylene Glycol SCHEMBL285424 | 0.83 | PTGS1 (0.36) | AKR1C3CYP2C9PTGS1 | |
| Ethylene Glycol SCHEMBL7742201 | 0.83 | PTGS1 (0.36) | AKR1C3CYP2C9PTGS1 | |
| SCHEMBL5086081 | 0.81 | CD81 (0.35) | SMN1; SMN2ALDH1A1LMNAKDM4EAKR1C3 | |
| Ethylene Glycol SCHEMBL27731098 | 0.80 | PTGS1 (0.34) | AKR1C3CYP2C9PTGS1 | |
| Diethanolamine SCHEMBL1837947 | 0.80 | KDM4E (0.39) | SMN1; SMN2ALDH1A1LMNAKDM4EHTT | |
| Acetic Acid SCHEMBL28626114 | 0.80 | FFAR3 (0.39) | AKR1C3CYP2C9PTGS1 | |
| Diethanolamine SCHEMBL502768 | 0.80 | FFAR3 (0.44) | SMN1; SMN2ALDH1A1LMNAKDM4EHTT | |
| Diethanolamine SCHEMBL9790976 | 0.80 | FFAR3 (0.44) | SMN1; SMN2ALDH1A1LMNAKDM4EHTT |
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-104185468-B | The dental binding agent of one pack system | 可乐丽则武齿科株式会社 | 2016-10-12 | — | — | CN | disclosed |