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 | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.82 |
| ▸ | THRA | P10827 | 2/20 | 0.75 |
| ▸ | THRB | P10828 | 2/20 | 0.75 |
| ▸ | KDM5A | P29375 | 7/20 | 0.74 |
| ▸ | KDM4A | O75164 | 3/20 | 0.74 |
| ▸ | ING2 | Q9H160 | 1/20 | 0.74 |
| ▸ | SIRT3 | Q9NTG7 | 8/20 | 0.72 |
| ▸ | KDM7A | Q6ZMT4 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.70 |
| ▸ | MLNR | O43193 | 1/20 | 0.70 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.70 |
| ▸ | PHF2 | O75151 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.70 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL19895688 | 0.95 | THRA (0.83) | ABCB1THRATHRBKDM5AKDM4A | |
| Desethylamiodarone SCHEMBL4535165 | 0.90 | ABCB1 (1.00) | ABCB1THRATHRBKDM5AKDM4A | |
| Desethylamiodarone SCHEMBL10680807 | 0.90 | ABCB1 (0.98) | ABCB1THRATHRBKDM5AKDM4A | |
| Desethylamiodarone SCHEMBL15618727 | 0.89 | ABCB1 (0.96) | ABCB1THRATHRBKDM5AKDM4A | |
| Desethylamiodarone SCHEMBL10673876 | 0.88 | ABCB1 (0.95) | ABCB1THRATHRBKDM5AKDM4A | |
| SCHEMBL25873319 | 0.88 | KDM5A (0.86) | ABCB1THRATHRBKDM5AKDM4A | |
| SCHEMBL19895690 | 0.87 | KDM5A (0.85) | ABCB1THRATHRBKDM5AKDM4A | |
| SCHEMBL9094309 | 0.87 | ABCB1 (0.89) | ABCB1THRATHRBKDM5AKDM4A | |
| SCHEMBL3228984 | 0.86 | THRA (1.00) | ABCB1THRATHRBKDM5AKDM4A | |
| SCHEMBL23717920 | 0.86 | THRA (0.81) | ABCB1THRATHRBKDM5AKDM4A |
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 |
|---|---|---|---|---|---|---|---|
| US-5585404-A | ANTIARRHYTHMIA AGENT | KARO BIO AB (SE) | 1996-12-17 | — | — | US | disclosed |
| US-5567728-A | BENZOYL BENZOFURAN DERIVATIVES USED TO PREVENT OR TREAT CARDIAC ARRHYTHMIA | KAROBIO AKTIEBOLAG (SE) | 1996-10-22 | — | — | US | disclosed |
| EP-0584186-B1 | RECEPTOR LIGANDS | KAROBIO AB (SE) | 1996-08-21 | — | — | EP | disclosed |
| EP-0584186-A1 | RECEPTOR LIGANDS. | KAROBIO AB (SE) | 1994-03-02 | — | — | EP | disclosed |
| WO-1992020331-A1 | RECEPTOR LIGANDS | KAROBIO AKTIEBOLAG (SE) | 1992-11-26 | — | — | WO | disclosed |