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 | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.56 |
| ▸ | WHR1 | P49842 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KRAS | P01116 | 2/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8884921 | 0.86 | KDM4E (0.48) | PDE4APDE4DWHR1L3MBTL1KDM4E | |
| Diphenylamine SCHEMBL8885083 | 0.82 | ABCG2 (0.55) | PDE4APDE4DWHR1L3MBTL1MAPT | |
| SCHEMBL7819852 | 0.77 | WHR1 (0.48) | PDE4APDE4DWHR1L3MBTL1KDM4E | |
| Diethylamine SCHEMBL7808320 | 0.77 | MAPK1 (0.44) | PDE4APDE4DL3MBTL1KDM4EGAA | |
| SCHEMBL7825968 | 0.75 | WHR1 (0.46) | PDE4APDE4DWHR1L3MBTL1KDM4E | |
| SCHEMBL7820197 | 0.75 | PDE4A (0.48) | PDE4APDE4DWHR1L3MBTL1KDM4E | |
| SCHEMBL8886069 | 0.75 | WHR1 (0.43) | PDE4APDE4DWHR1L3MBTL1KDM4E | |
| SCHEMBL7818387 | 0.75 | MAPT (0.46) | PDE4APDE4DWHR1L3MBTL1KDM4E | |
| Diethylamine SCHEMBL7488798 | 0.75 | MAPT (0.42) | L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL8884725 | 0.75 | WHR1 (0.41) | PDE4APDE4DWHR1L3MBTL1KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0634169-B1 | Quinoline or quinazoline derivatives and their use in the manufacture of a medicament for the treatment of osteoporosis | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-01-05 | — | — | EP | disclosed |
| US-5852039-A | Pharmaceutical composition containing quinoline or quinazoline derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| US-5719157-A | OSTEOPOROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| US-5650410-A | ANTIINFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-22 | — | — | US | disclosed |
| EP-0634169-A1 | Pharmaceutical composition containing quinoline or quinazoline derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-01-18 | — | — | EP | disclosed |