Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | VRK1 | Q99986 | 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 | |
|---|---|---|---|---|
| SCHEMBL13029 | 0.97 | CYP3A4 (0.50) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| Lithium SCHEMBL31361451 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| Potassium SCHEMBL31361438 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL31361467 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL2050124 | 0.86 | CYP3A4 (0.46) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL11744136 | 0.83 | CYP3A4 (0.65) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL528819 | 0.79 | TSHR (0.40) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL2245908 | 0.79 | CYP3A4 (0.40) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL31253165 | 0.79 | CYP3A4 (0.40) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL30467799 | 0.79 | TTR (0.40) | CYP3A4TSHRTDP1GABRA1GABRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893619-A1 | NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS | AstraZeneca AB (SE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006135316-A1 | New oxabispidine compounds for the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2006-12-21 | — | — | WO | disclosed |