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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 20/20 | 0.92 |
| ▸ | CHRM2 known ✓ | P08172 | 16/20 | 0.92 |
| ▸ | CHRM1 known ✓ | P11229 | 16/20 | 0.92 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.72 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.72 |
| ▸ | TACR1 | P25103 | 2/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.72 |
| ▸ | HRH1 | P35367 | 2/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
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 SCHEMBL155126 | 1.00 | CHRM3 (0.92) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5978127 | 0.99 | CHRM3 (0.92) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL2360201 | 0.99 | CHRM3 (0.92) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL1235365 | 0.96 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL1234906 | 0.96 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Bromide SCHEMBL1234717 | 0.96 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5977160 | 0.95 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5979178 | 0.95 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5976377 | 0.95 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5978626 | 0.94 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009154562-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009037503-A2 | NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES | ASTRAZENECA AB (SE) | 2009-03-26 | — | — | WO | disclosed |
| WO-2008096121-A1 | COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE | ASTRAZENECA AB (SE) | 2008-08-14 | — | — | WO | disclosed |