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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 11/20 | 0.52 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.52 |
| ▸ | CYSLTR2 | Q9NS75 | 9/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8131833 | 0.81 | CYSLTR1 (0.57) | CYSLTR1GPBAR1CYSLTR2ALOX5 | |
| SCHEMBL9121080 | 0.80 | CYSLTR1 (0.56) | CYSLTR1GPBAR1CYSLTR2ALOX5 | |
| SCHEMBL8325040 | 0.80 | CYSLTR1 (0.74) | CYSLTR1GPBAR1CYSLTR2ALOX5 | |
| Bromide SCHEMBL7086028 | 0.80 | NR4A2 (0.40) | — | |
| SCHEMBL27393484 | 0.75 | CYSLTR1 (0.57) | CYSLTR1GPBAR1CYSLTR2ALOX5 | |
| SCHEMBL8180239 | 0.75 | CYSLTR1 (0.51) | CYSLTR1GPBAR1CYSLTR2 | |
| SCHEMBL10510977 | 0.73 | CYSLTR1 (0.69) | CYSLTR1GPBAR1CYSLTR2 | |
| Hydrochloric Acid SCHEMBL9033991 | 0.73 | CYSLTR1 (0.65) | CYSLTR1GPBAR1CYSLTR2ALOX5 | |
| Bromide SCHEMBL9442294 | 0.73 | KCNA3 (0.50) | — | |
| SCHEMBL9051963 | 0.72 | CYSLTR1 (0.52) | CYSLTR1GPBAR1CYSLTR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0480708-B1 | Hydroxyalkylquinoline ether acids as leukotriene antagonists | MERCK FROSST CANADA INC (CA) | 1995-10-11 | — | — | EP | disclosed |
| EP-0399818-B1 | Diarylstyrylquinoline diacids | MERCK FROSST CANADA INC (CA) | 1995-08-16 | — | — | EP | disclosed |
| US-5266568-A | Hydroxyalkylquinoline ether acids as leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1993-11-30 | — | — | US | disclosed |
| US-5204358-A | Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases | MERCK FROSST CANADA, INC. (CA) | 1993-04-20 | — | — | US | disclosed |
| EP-0480708-A2 | Hydroxyalkylquinoline ether acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1992-04-15 | — | — | EP | disclosed |
| US-5104882-A | Leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1992-04-14 | — | — | US | disclosed |
| EP-0399818-A1 | Diarylstyrylquinoline diacids | MERCK FROSST CANADA INC. (CA) | 1990-11-28 | — | — | EP | disclosed |
| EP-0318093-A2 | Diarylquinoline diacids and their use as medicaments | MERCK FROSST CANADA INC. (CA) | 1989-05-31 | — | — | EP | disclosed |