Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bretylium. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | THPO | P40225 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bretylium SCHEMBL15438 | 1.00 | LMNA (0.65) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL29688247 | 1.00 | LMNA (0.65) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL16398024 | 0.98 | LMNA (0.63) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL6314565 | 0.98 | LMNA (0.63) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL6227453 | 0.98 | LMNA (0.63) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL29387750 | 0.98 | LMNA (0.63) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL428588 | 0.83 | LMNA (0.50) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL40898 | 0.81 | LMNA (1.00) | LMNACYP2D6CYP3A4MAPK1THPO | |
| SCHEMBL31658959 | 0.80 | CHRM2 (0.50) | LMNACYP2D6CYP3A4MAPK1THPO | |
| Bretylium SCHEMBL2638385 | 0.78 | MAPK1 (0.62) | LMNACYP2D6CYP3A4MAPK1THPO |
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-2414543-A1 | GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE | Decode Genetics EHF (IS) | 2012-02-08 | — | — | EP | disclosed |