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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 14/20 | 0.85 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | SHBG | P04278 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.54 |
| ▸ | PGR | P06401 | 2/20 | 0.54 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.54 |
| ▸ | AR | P10275 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | SNCA | P37840 | 2/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.54 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.54 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11020843 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| SCHEMBL15903 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| SCHEMBL4431797 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| SCHEMBL13001778 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| SCHEMBL4361013 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| SCHEMBL13752636 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| SCHEMBL13787743 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| SCHEMBL12430769 | 0.92 | CYP19A1 (1.00) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| Propionic Acid SCHEMBL29224763 | 0.89 | CYP19A1 (0.85) | CYP19A1LMNAMAPTSHBGCYP3A4 | |
| Sulfuric Acid SCHEMBL15901696 | 0.88 | CYP19A1 (0.91) | CYP19A1LMNAMAPTSHBGCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0720744-A4 | AN ASSAY DEVICE | GUIRGUIS RAOUF A (US) | 1997-10-22 | — | — | EP | disclosed |
| EP-0720744-A1 | AN ASSAY DEVICE | La Mina, Inc. (US) | 1996-07-10 | — | — | EP | disclosed |
| WO-1995008117-A1 | AN ASSAY DEVICE | GUIRGUIS RAOUF A (US) | 1995-03-23 | — | — | WO | disclosed |