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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 8/20 | 0.43 |
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.36 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 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 SCHEMBL7658910 | 0.92 | CHRM3 (0.47) | CHRM3CHRNA7CHRM2CHRM1HRH1 | |
| Bromide SCHEMBL7658481 | 0.84 | SMN1; SMN2 (0.40) | MAPK1SMN1; SMN2 | |
| Bromide SCHEMBL7649981 | 0.83 | PPARA (0.34) | CHRM3NR5A2PTGER4HDAC3HDAC4 | |
| Bromide SCHEMBL8399538 | 0.81 | PTGS1 (0.37) | — | |
| Bromide SCHEMBL8399536 | 0.81 | PTGS1 (0.37) | — | |
| Bromide SCHEMBL7653943 | 0.81 | CHRM3 (0.36) | CHRM3 | |
| Bromide SCHEMBL7658326 | 0.80 | POLB (0.35) | MAPK1SMN1; SMN2 | |
| Bromide SCHEMBL7662643 | 0.79 | CHRM3 (0.40) | CHRM3MAPTHDAC11 | |
| Iodide SCHEMBL7663016 | 0.79 | CHRM3 (0.34) | CHRM3HDAC11 | |
| Bromide SCHEMBL7650459 | 0.77 | ALOX15 (0.39) | CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |