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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 SCHEMBL9699242 | 0.79 | SMN1; SMN2 (0.45) | SMN1; SMN2MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL11007300 | 0.73 | SMN1; SMN2 (0.50) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| Diethylamine SCHEMBL9699235 | 0.72 | MEN1 (0.40) | MEN1KMT2APOLBALDH1A1LMNA | |
| SCHEMBL15222055 | 0.71 | SMN1; SMN2 (0.54) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL680143 | 0.71 | SMN1; SMN2 (0.54) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL9700421 | 0.70 | SMN1; SMN2 (0.38) | SMN1; SMN2POLBALDH1A1LMNAMAPT | |
| SCHEMBL9700223 | 0.70 | LTA4H (0.42) | SMN1; SMN2MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL29066267 | 0.69 | SMN1; SMN2 (0.52) | SMN1; SMN2MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL31693816 | 0.68 | HCRTR2 (0.42) | MEN1KMT2APOLBCA2 | |
| SCHEMBL19418286 | 0.68 | NR3C2 (0.44) | MEN1KMT2AALDH1A1CA2LTA4H |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112820-A | Vision defects | STERLING DRUG INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5109135-A | 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates | STERLING DRUG INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| US-4939138-A | 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |