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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | GALR3 | O60755 | 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL743633 | 0.89 | — | — | |
| Diethylamine SCHEMBL20400239 | 0.86 | TP53 (0.57) | TP53KDM4ETSHRCYP2C19MEN1 | |
| Diethylamine SCHEMBL27872306 | 0.83 | — | — | |
| Diethylamine SCHEMBL718153 | 0.83 | — | — | |
| Diethylamine SCHEMBL7213844 | 0.83 | TP53 (0.53) | TP53KDM4ETSHRCYP2C19MEN1 | |
| Butanol SCHEMBL28754544 | 0.83 | TSHR (0.67) | TP53KDM4ETSHRCYP2C19MEN1 | |
| Diethylamine SCHEMBL9744053 | 0.82 | TP53 (0.44) | TP53KDM4ETSHR | |
| Diethylamine SCHEMBL8203122 | 0.80 | TP53 (0.89) | TP53KDM4ETSHRCYP2C19MEN1 | |
| Diethylamine SCHEMBL27923633 | 0.80 | — | — | |
| Propylene Glycol SCHEMBL7551796 | 0.80 | TDP1 (0.62) | TP53KDM4ETSHRCYP2C19MEN1 |
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-5102773-A | For production of printing plates | BASF AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |