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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 8/20 | 0.38 |
| ▸ | CHRM1 known ✓ | P11229 | 7/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 7/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 SCHEMBL7654124 | 1.00 | CCR5 (0.39) | CCR5CHRNA7APOBEC3AAPOBEC3GPABPC1 | |
| Bromide SCHEMBL7975707 | 0.96 | CCR5 (0.38) | CCR5CHRNA7APOBEC3AAPOBEC3GPABPC1 | |
| Bromide SCHEMBL7657292 | 0.95 | PTGS1 (0.44) | CHRNA7APOBEC3AAPOBEC3GPABPC1CHRM2 | |
| Bromide SCHEMBL7657294 | 0.95 | PTGS1 (0.44) | CHRNA7APOBEC3AAPOBEC3GPABPC1CHRM2 | |
| Bromide SCHEMBL7654049 | 0.94 | CHRNA7 (0.39) | CCR5CHRNA7APOBEC3AAPOBEC3GPABPC1 | |
| Bromide SCHEMBL7654051 | 0.94 | CHRNA7 (0.39) | CCR5CHRNA7APOBEC3AAPOBEC3GPABPC1 | |
| Bromide SCHEMBL8399535 | 0.91 | PTGS1 (0.42) | CHRNA7CHRM2CHRM1CHRM3PTGS1 | |
| Bromide SCHEMBL8399534 | 0.91 | PTGS1 (0.42) | CHRNA7CHRM2CHRM1CHRM3PTGS1 | |
| Bromide SCHEMBL7978457 | 0.91 | CHRNA7 (0.37) | CHRNA7APOBEC3AAPOBEC3GPABPC1CHRM2 | |
| Bromide SCHEMBL7978461 | 0.91 | CHRNA7 (0.37) | CHRNA7APOBEC3AAPOBEC3GPABPC1CHRM2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |
| 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 |
| EP-1025099-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | Gyermek, Laszlo (US) | 2000-08-09 | — | — | EP | disclosed |
| US-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | disclosed |
| WO-1999021854-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | NEWLAXANT LLC (US) | 1999-05-06 | — | — | WO | disclosed |