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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 6/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CFD | P00746 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 SCHEMBL7654051 | 1.00 | CHRNA7 (0.39) | CHRNA7CCR5APOBEC3AAPOBEC3GCHRM2 | |
| Bromide SCHEMBL7654126 | 0.94 | CCR5 (0.39) | CHRNA7CCR5APOBEC3AAPOBEC3GCHRM2 | |
| Bromide SCHEMBL7654124 | 0.94 | CCR5 (0.39) | CHRNA7CCR5APOBEC3AAPOBEC3GCHRM2 | |
| Bromide SCHEMBL7653291 | 0.91 | CHRNA7 (0.37) | CHRNA7APOBEC3AAPOBEC3GCHRM2CHRM1 | |
| Bromide SCHEMBL7653288 | 0.91 | CHRNA7 (0.37) | CHRNA7APOBEC3AAPOBEC3GCHRM2CHRM1 | |
| Bromide SCHEMBL7975707 | 0.90 | CCR5 (0.38) | CHRNA7CCR5APOBEC3AAPOBEC3GCHRM2 | |
| Bromide SCHEMBL7660240 | 0.90 | PTGS1 (0.40) | CHRNA7CHRM2CHRM1CHRM3ALDH1A1 | |
| Bromide SCHEMBL7660235 | 0.90 | PTGS1 (0.40) | CHRNA7CHRM2CHRM1CHRM3ALDH1A1 | |
| Bromide SCHEMBL7657294 | 0.89 | PTGS1 (0.44) | CHRNA7APOBEC3AAPOBEC3GCHRM2CHRM1 | |
| Bromide SCHEMBL7657292 | 0.89 | PTGS1 (0.44) | CHRNA7APOBEC3AAPOBEC3GCHRM2CHRM1 |
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 5 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 |
| WO-1999021854-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | NEWLAXANT LLC (US) | 1999-05-06 | — | — | WO | disclosed |