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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.46 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
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 SCHEMBL7786835 | 1.00 | ACE (0.46) | ACETSHRSLC6A1SLC6A11LMNA | |
| SCHEMBL13868097 | 0.97 | ACE (0.48) | ACETSHRSLC6A1SLC6A11LMNA | |
| SCHEMBL17041334 | 0.97 | ACE (0.48) | ACETSHRSLC6A1SLC6A11LMNA | |
| SCHEMBL35887 | 0.97 | ACE (0.48) | ACETSHRSLC6A1SLC6A11LMNA | |
| SCHEMBL29844 | 0.97 | ACE (0.48) | ACETSHRSLC6A1SLC6A11LMNA | |
| SCHEMBL2049696 | 0.97 | ACE (0.48) | ACETSHRSLC6A1SLC6A11LMNA | |
| SCHEMBL35888 | 0.97 | ACE (0.48) | ACETSHRSLC6A1SLC6A11LMNA | |
| SCHEMBL20262981 | 0.94 | ACE (0.46) | ACETSHRSLC6A1SLC6A11LMNA | |
| Hydrochloric Acid SCHEMBL7641498 | 0.94 | ACE (0.46) | ACETSHRSLC6A1SLC6A11LMNA | |
| Ammonia Solution, Strong SCHEMBL21463027 | 0.94 | ACE (0.46) | ACETSHRSLC6A1SLC6A11LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1025099-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | Gyermek, Laszlo (US) | 2000-08-09 | — | — | EP | claimed |
| WO-1999021854-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | NEWLAXANT LLC (US) | 1999-05-06 | — | — | WO | claimed |
| 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 |