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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 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 SCHEMBL7576781 | 0.81 | MAPT (0.42) | PARP1PARP2PARP3CLCN2KDM4E | |
| SCHEMBL3244570 | 0.75 | CLCN2 (0.53) | CLCN2GABRA1GABRB2KDM4EALDH1A1 | |
| Diethylamine SCHEMBL7220117 | 0.74 | MAP2K2 (0.40) | PARP1ALDH1A1HSD17B10MAPK8MEN1 | |
| SCHEMBL27486058 | 0.74 | KDM4E (0.52) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6216947 | 0.74 | PARP1 (0.50) | PARP1CLCN2GABRA1GABRB2KDM4E | |
| SCHEMBL28185434 | 0.73 | PLA2G2A (0.49) | PARP1TSHR | |
| SCHEMBL72113 | 0.73 | PARP1 (0.49) | PARP1PARP2CLCN2GABRA1GABRB2 | |
| SCHEMBL28053290 | 0.73 | TSHR (0.41) | PARP1PARP2KDM4EALDH1A1HPGD | |
| SCHEMBL6555382 | 0.73 | MAPT (0.52) | PARP1CLCN2GABRA1GABRB2KDM4E | |
| SCHEMBL162322 | 0.73 | MAPT (0.52) | PARP1CLCN2GABRA1GABRB2KDM4E |
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-0821594-A1 | COMPOUNDS FOR CANCER IMAGING AND THERAPY | JOHN, Christy S. (US) | 1998-02-04 | — | — | EP | claimed |