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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Nitroethane SCHEMBL35035 | 0.83 | — | — | |
| Nitroethane SCHEMBL1332217 | 0.83 | — | — | |
| Diethylamine SCHEMBL11148992 | 0.81 | CA5A (0.50) | TSHRTP53CYP3A4ALOX15ALDH1A1 | |
| Diethylamine SCHEMBL814207 | 0.81 | — | — | |
| Nitroethane SCHEMBL27939198 | 0.79 | — | — | |
| Nitroethane SCHEMBL27781345 | 0.79 | — | — | |
| Nitroethane SCHEMBL7774447 | 0.79 | — | — | |
| Nitroethane SCHEMBL29866506 | 0.79 | — | — | |
| SCHEMBL16704755 | 0.79 | — | — | |
| Nitroethane SCHEMBL1011599 | 0.76 | — | — |
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-5750802-A | (1R*, 2S)-1-phenyl-2-nitroalcohols and method for producing same | AMVAC CHEMICAL CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |