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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.50 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.38 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL1299321 | 0.98 | ADRA1A (0.52) | ADRA1AHTR2BHRH3ADRA2AADRA1D | |
| Hydrochloric Acid SCHEMBL2517321 | 0.96 | ADRA1A (0.50) | ADRA1AHTR2BHRH3ADRA2AADRA1D | |
| Hydrochloric Acid SCHEMBL7417858 | 0.96 | ADRA1A (0.50) | ADRA1AHTR2BHRH3ADRA2AADRA1D | |
| SCHEMBL8439028 | 0.86 | ADRA1A (0.49) | ADRA1AHTR2BHRH3ADRA2AADRA1D | |
| SCHEMBL196337 | 0.85 | — | — | |
| SCHEMBL18814450 | 0.81 | HTR2B (0.43) | ADRA1AHTR2B | |
| SCHEMBL184451 | 0.81 | ADRA1A (0.55) | ADRA1AHTR2BADRA2AADRA1DADRA1B | |
| SCHEMBL1494449 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL20522469 | 0.80 | HTR2B (0.42) | ADRA1AHTR2B | |
| SCHEMBL7856564 | 0.79 | ADRA1A (0.53) | ADRA1AHTR2BADRA2AADRA1DADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995006037-A1 | NEW IMIDAZOLE DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3 RECEPTOR | VRIJE UNIVERSITEIT (NL) | 1995-03-02 | — | — | WO | disclosed |