Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL28275121 | 0.88 | PLA2G1B (0.32) | TP53 | |
| Trimethylammonium SCHEMBL28069178 | 0.87 | KCNH2 (0.34) | CYP3A4TSHR | |
| Diethylamine SCHEMBL28268698 | 0.87 | TP53 (0.53) | TP53CYP3A4ALOX15TSHR | |
| SCHEMBL808836 | 0.81 | KCNH2 (0.37) | CYP3A4TSHR | |
| Diethylamine SCHEMBL1806685 | 0.81 | TP53 (0.61) | TP53CYP3A4ALOX15TSHR | |
| Trimethylammonium SCHEMBL2672 | 0.78 | HRH3 (0.38) | CYP3A4TSHR | |
| SCHEMBL14980593 | 0.76 | CYP2C19 (0.40) | TP53TSHR | |
| SCHEMBL23975243 | 0.75 | TSHR (0.42) | TP53TSHR | |
| Diethylamine SCHEMBL1654811 | 0.74 | — | — | |
| SCHEMBL8437150 | 0.74 | TSHR (0.46) | TP53TSHR |
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-103201280-B | The compositions of suppression JAK approach and method | 里格尔药品股份有限公司 | 2016-08-10 | — | — | CN | disclosed |