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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 8/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL364759 | 0.94 | MRGPRX4 (0.64) | MRGPRX4HPGDKMT2ASMN1; SMN2SCN9A | |
| SCHEMBL364527 | 0.88 | SCN9A (0.63) | MRGPRX4HPGDKMT2ASMN1; SMN2SCN9A | |
| Diethylamine SCHEMBL16239880 | 0.84 | MAOA (0.56) | KMT2ASMN1; SMN2SCN9ASCN5A | |
| SCHEMBL16240302 | 0.83 | MRGPRX4 (0.61) | MRGPRX4HPGDKMT2ASMN1; SMN2SCN9A | |
| Diethylamine SCHEMBL16239962 | 0.83 | RXRA (0.58) | MRGPRX4SCN9ASLC6A5RXRARXRB | |
| Diethylamine SCHEMBL16240132 | 0.81 | PTGER1 (0.47) | SCN9ASCN5A | |
| SCHEMBL371154 | 0.79 | MRGPRX4 (0.62) | MRGPRX4HPGDKMT2ASMN1; SMN2SCN9A | |
| SCHEMBL365210 | 0.78 | MAOA (0.63) | KMT2ASMN1; SMN2SCN9ASCN5A | |
| SCHEMBL366081 | 0.78 | MAOA (0.63) | KMT2ASMN1; SMN2SCN9ASCN5A | |
| Diethylamine SCHEMBL16239678 | 0.77 | RXRA (0.57) | KMT2ASMN1; SMN2SCN9AHDAC1RXRA |
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 |