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 | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.30 |
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 SCHEMBL11027597 | 0.85 | SNCA (0.37) | SNCAHIF1AAPPALDH1A1CYP1A2 | |
| Bromide SCHEMBL15635708 | 0.77 | SMN1; SMN2 (0.43) | SNCAHIF1ANOS3NOS2APP | |
| Bromide SCHEMBL28015267 | 0.76 | SMN1; SMN2 (0.42) | SNCAHIF1ANOS3NOS2APP | |
| Hydrochloric Acid SCHEMBL15023659 | 0.75 | HIF1A (0.36) | SNCAHIF1AAPPALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL10522550 | 0.74 | SMN1; SMN2 (0.43) | SNCAHIF1ANOS3NOS2APP | |
| Bromide SCHEMBL4485285 | 0.74 | CYP1A2 (0.49) | SNCAHIF1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL8068055 | 0.72 | SMN1; SMN2 (0.45) | SNCAHIF1ANOS3NOS2APP | |
| Bromide SCHEMBL7487077 | 0.71 | SLC6A3 (0.51) | ALDH1A1 | |
| Bromide SCHEMBL10753956 | 0.71 | HIF1A (0.43) | SNCAHIF1AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9503252 | 0.71 | ALDH1A1 (0.44) | NOS3NOS1NOS2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | claimed |
| US-5506227-A | USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-04-09 | — | — | US | disclosed |
| EP-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | disclosed |
| EP-0639181-A1 | PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1995-02-22 | — | — | EP | disclosed |
| WO-1993021158-A1 | PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1993-10-28 | — | — | WO | disclosed |