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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.73 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.73 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.73 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.73 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.73 |
| ▸ | HTR2A | P28223 | 1/20 | 0.73 |
| ▸ | HTR2C | P28335 | 1/20 | 0.73 |
| ▸ | HRH1 | P35367 | 1/20 | 0.73 |
| ▸ | DRD3 | P35462 | 1/20 | 0.73 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | FOLH1 | Q04609 | 15/20 | 0.59 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.50 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.50 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2230782 | 0.98 | CHRM1 (0.76) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL27682490 | 0.95 | CHRM1 (0.73) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL10460144 | 0.95 | CHRM1 (0.73) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Water SCHEMBL27701491 | 0.95 | CHRM1 (0.73) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL30860117 | 0.91 | CHRM1 (0.67) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL28198009 | 0.91 | HDAC1 (0.80) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27682564 | 0.88 | CHRM1 (0.61) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL4751242 | 0.86 | HDAC1 (0.73) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL28197352 | 0.86 | TDP1 (0.73) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL2275 | 0.85 | CHRM1 (1.00) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 |