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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 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 SCHEMBL8015170 | 0.83 | SNCA (0.51) | SNCAHIF1AAPPCYP1A2ALDH1A1 | |
| Bromide SCHEMBL30721146 | 0.83 | SNCA (0.51) | SNCAHIF1AAPPCYP1A2ALDH1A1 | |
| Bromide SCHEMBL5972756 | 0.82 | SNCA (0.50) | SNCAHIF1AAPPCYP1A2ALDH1A1 | |
| Bromide SCHEMBL1508860 | 0.79 | SNCA (0.47) | SNCAHIF1AAPP | |
| Bromide SCHEMBL1346296 | 0.79 | SNCA (0.47) | SNCAHIF1AAPPCYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3638653 | 0.78 | SNCA (0.47) | SNCAHIF1AAPPCYP1A2ALDH1A1 | |
| Bromide SCHEMBL39844 | 0.77 | SNCA (0.73) | SNCAHIF1AAPPCYP1A2ALDH1A1 | |
| Bromide SCHEMBL163158 | 0.77 | SNCA (0.67) | SNCAHIF1AAPPCYP1A2ALDH1A1 | |
| Bromide SCHEMBL973293 | 0.76 | SNCA (0.49) | SNCACYP1A2ALDH1A1CYP2D6TSHR | |
| Bromide SCHEMBL1503289 | 0.76 | SNCA (0.61) | SNCAHIF1AALDH1A1CYP3A4EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |
| EP-0647696-B1 | Cyclohexane derivative | CHISSO CORP (JP) | 1999-04-21 | — | — | EP | disclosed |
| EP-0647696-A1 | Cyclohexane derivative | Chisso Corporation (JP) | 1995-04-12 | — | — | EP | disclosed |
| US-5382379-A | Cyclohexane derivative | CHISSO CORPORATION (JP) | 1995-01-17 | — | — | US | disclosed |