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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.45 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6355812 | 0.98 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| SCHEMBL29157757 | 0.82 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| SCHEMBL506747 | 0.79 | KCNA5 (0.50) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| SCHEMBL177936 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| Bromide SCHEMBL18632030 | 0.78 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| Bromide SCHEMBL10566997 | 0.78 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| Bromide SCHEMBL28813183 | 0.77 | GSK3B (0.44) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| SCHEMBL6551622 | 0.76 | KCNA5 (0.51) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| SCHEMBL6357883 | 0.75 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 | |
| SCHEMBL28858566 | 0.75 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRKCNA5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0129409-B1 | Thiazolo - and thiazinobenzimidazoles | WYETH JOHN & BROTHER LTD (GB) | 1993-10-27 | — | — | EP | disclosed |
| US-4873237-A | ANTIULCER AGENTS | JOHN WYETH & BROTHER LIMITED (GB) | 1989-10-10 | — | — | US | disclosed |
| US-4794123-A | Thiazolo- and thiazino- benzimidazoles and their use as anti-ulcer agents | JOHN WYETH & BROTHER LIMITED (GB) | 1988-12-27 | — | — | US | disclosed |
| US-4786636-A | ANTISECRETARY | JOHN WYETH & BROTHER LIMITED (GB) | 1988-11-22 | — | — | US | disclosed |
| US-4725605-A | Thiazolo- and thiazino-benzimidazoles, and their use as anti-ulcer/hypersecretion agents | JOHN WYETH & BROTHER LIMITED (GB) | 1988-02-16 | — | — | US | disclosed |
| EP-0129409-A2 | Thiazolo - and thiazinobenzimidazoles | JOHN WYETH & BROTHER LIMITED (GB) | 1984-12-27 | — | — | EP | disclosed |