Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.55 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.55 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.55 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.55 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.55 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.55 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 2/20 | 0.79 |
| ▸ | LSS | P48449 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1405661 | 0.96 | LTA4H (0.85) | LTA4HLSSHRH3CHRNB2CHRNA4 | |
| Bromide SCHEMBL1174583 | 0.94 | LTA4H (0.81) | LTA4HLSSHRH3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL10682691 | 0.94 | LTA4H (0.81) | LTA4HLSSHRH3CHRNB2CHRNA4 | |
| Bromide SCHEMBL8494655 | 0.92 | LTA4H (0.79) | LTA4HLSSHRH3CHRNB2CHRNA4 | |
| Ethylamine SCHEMBL9871196 | 0.88 | LTA4H (0.73) | LTA4HLSSHRH3CHRNB2CHRNA4 | |
| SCHEMBL4632841 | 0.85 | LSS (0.79) | LTA4HLSSHRH3KDM4EALDH1A1 | |
| Tetradecane SCHEMBL28897526 | 0.85 | LTA4H (0.69) | LTA4HLSSHRH3KDM4ECYP2D6 | |
| SCHEMBL22831331 | 0.84 | LSS (0.83) | LTA4HLSSHRH3KEAP1NFE2L2 | |
| SCHEMBL15509555 | 0.84 | LTA4H (0.68) | LTA4HLSSHRH3CHRNB2CHRNA4 | |
| Tetradecane SCHEMBL28451741 | 0.83 | LTA4H (0.67) | LTA4HLSSHRH3KDM4ECYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999002509-A1 | PROCESS FOR PREPARING TRI-ARYL-ALKYLALKENES | SMITHKLINE BEECHAM PLC (GB) | 1999-01-21 | — | — | WO | disclosed |