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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 5/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
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 SCHEMBL7086028 | 0.75 | NR4A2 (0.40) | PDE10ASNCASMN1; SMN2 | |
| Bromide SCHEMBL8115528 | 0.75 | CYSLTR2 (0.33) | SNCAGAASMN1; SMN2MEN1LMNA | |
| SCHEMBL27476426 | 0.74 | LOXL2 (0.41) | PPARALOXL2PDE10AKDM4EHDAC6 | |
| SCHEMBL30470672 | 0.73 | LOXL2 (0.57) | PPARALOXL2HDAC6GAAMGAM | |
| Bromide SCHEMBL8113975 | 0.73 | SNCA (0.31) | SNCA | |
| Hydrochloric Acid SCHEMBL8124320 | 0.72 | HIF1A (0.33) | SNCAHIF1A | |
| Bromide SCHEMBL4485285 | 0.72 | CYP1A2 (0.49) | PDE10ASNCAHIF1A | |
| SCHEMBL8121253 | 0.72 | LOXL2 (0.40) | PPARALOXL2PDE10AKDM4EHDAC6 | |
| Hydrochloric Acid SCHEMBL9336750 | 0.72 | LOXL2 (0.56) | PPARALOXL2HDAC6GAAMGAM | |
| Hydrochloric Acid SCHEMBL8114964 | 0.72 | CYSLTR2 (0.33) | GAASMN1; SMN2MEN1LMNAKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0604114-B1 | Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists | MERCK FROSST CANADA INC (CA) | 2000-05-03 | — | — | EP | disclosed |
| US-5472964-A | Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1995-12-05 | — | — | US | disclosed |
| WO-1994014815-A1 | DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1994-07-07 | — | — | WO | disclosed |
| EP-0604114-A1 | Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1994-06-29 | — | — | EP | disclosed |