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 | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 14/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL366136 | 0.96 | SCN9A (0.49) | SCN9ASCN5ANR4A2EPHX2NR1H4 | |
| Diethylamine SCHEMBL16239800 | 0.88 | SCN9A (0.59) | SCN9ASCN5AEPHX2NR1H4 | |
| Diethylamine SCHEMBL16239822 | 0.87 | HDAC8 (0.48) | SCN9ASCN5APTGER4RXRARXRB | |
| Diethylamine SCHEMBL16239678 | 0.84 | RXRA (0.57) | SCN9ARXRARXRBMAPK1 | |
| SCHEMBL363727 | 0.82 | SCN9A (0.64) | SCN9ASCN5ANR4A2 | |
| SCHEMBL366237 | 0.82 | HDAC8 (0.51) | SCN9ASCN5APTGER4RXRARXRB | |
| SCHEMBL14890261 | 0.81 | NR4A2 (0.64) | SCN9ASCN5ANR4A2EPHX2NR1H4 | |
| Diethylamine SCHEMBL16239880 | 0.80 | MAOA (0.56) | SCN9ASCN5ANR4A2MAPK1 | |
| SCHEMBL364340 | 0.79 | RXRA (0.62) | SCN9ANR4A2RXRARXRBMAPK1 | |
| SCHEMBL366514 | 0.79 | ADAMTS5 (0.59) | SCN9ASCN5ANR4A2EPHX2NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2593428-B1 | N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | PFIZER LTD (GB) | 2014-11-19 | — | — | EP | disclosed |