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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL4921184 | 0.82 | TSHR (0.41) | FDPS | |
| SCHEMBL65283 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2139309 | 0.79 | — | — | |
| Diethylamine SCHEMBL7213844 | 0.79 | TP53 (0.53) | TP53CYP3A4ALOX15KDM4E | |
| SCHEMBL10400438 | 0.79 | — | — | |
| Water SCHEMBL27453712 | 0.79 | — | — | |
| Isopropyl Alcohol SCHEMBL634928 | 0.79 | ALDH1A1 (0.40) | FDPS | |
| SCHEMBL6662347 | 0.79 | — | — | |
| SCHEMBL28211595 | 0.77 | CYP2C19 (0.33) | KDM4E | |
| Hydroxyamine SCHEMBL16774695 | 0.76 | TSHR (0.44) | FDPS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008075993-A1 | THE USE OF DIETHYLAMINE AS ANALGESIC IN PHARMACEUTICAL PREPARATIONS | FULGA ION (RO) | 2008-06-26 | — | — | WO | disclosed |