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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 13/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 5/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.52 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.52 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4446747 | 0.85 | BCHE (0.73) | BCHEACHENOX1 | |
| SCHEMBL30300504 | 0.85 | BCHE (0.73) | BCHEACHENOX1 | |
| Pyrrole SCHEMBL8426380 | 0.79 | BCHE (0.59) | BCHEMAPTACHENOX1GAA | |
| SCHEMBL8739172 | 0.72 | BCHE (0.76) | BCHEACHENOX1 | |
| SCHEMBL2681239 | 0.71 | BCHE (0.70) | BCHEMAPTALDH1A1RAB9AACHE | |
| SCHEMBL8860455 | 0.71 | NOX1 (0.54) | BCHEACHENOX1 | |
| Phthalic Acid SCHEMBL1833827 | 0.70 | ALDH1A1 (0.61) | MAPTALDH1A1 | |
| Phthalic Acid SCHEMBL21195154 | 0.70 | ALDH1A1 (0.61) | MAPTALDH1A1 | |
| SCHEMBL27597035 | 0.70 | BCHE (0.51) | BCHEMAPTALDH1A1ACHENOX1 | |
| SCHEMBL20272374 | 0.70 | BCHE (0.71) | BCHEACHENOX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5142045-A | Xanthene, acridine, and thioxanthene moieties pendant from polymer background | AISIN SEIKI KABUSHIKI KAISHA (JP) | 1992-08-25 | — | — | US | disclosed |