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 | 10/20 | 0.53 |
| ▸ | CHRM1 known ✓ | P11229 | 8/20 | 0.53 |
| ▸ | CHRM3 known ✓ | P20309 | 7/20 | 0.53 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.39 |
| ▸ | CHRNA1 known ✓ | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG known ✓ | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 known ✓ | P11230 | 1/20 | 0.38 |
| ▸ | CHRND known ✓ | Q07001 | 1/20 | 0.38 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7613494 | 0.84 | APOBEC3A (0.40) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7976104 | 0.83 | CHRNA7 (0.54) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7618930 | 0.81 | APOBEC3A (0.40) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7975639 | 0.80 | CHRNA7 (0.53) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7619013 | 0.77 | CHRNA7 (0.40) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7619009 | 0.77 | CHRNA7 (0.40) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7618949 | 0.76 | CHRM2 (0.39) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7621350 | 0.76 | CHRM2 (0.50) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7615371 | 0.75 | CHRM3 (0.43) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL7615374 | 0.75 | CHRM3 (0.43) | CHRM2CHRM1CHRM3APOBEC3AAPOBEC3G |
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 |
|---|---|---|---|---|---|---|---|
| US-6274623-B1 | DI- OR POLY-ALKOXY-OR ACYLOXY-SUBSTITUTED ARALKYL AND ARAKENYL QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC AMINOALKANOL DIESTERS SUCH AS BIS(N-(3,4-DIPROPIONYLOXY-BENZYL)GRANATANINIUM-3-ALPHA-YL)ADIPATE DIBROMIDE | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |
| US-6274757-B1 | REACTING AN HYDROXY AMINE CORRESPONDING COMPOUND WITH DICHLORO COMPOUND | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |