Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 20/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3662162 | 0.99 | GSK3B (0.54) | GSK3B | |
| Bromide SCHEMBL3664248 | 0.85 | GSK3B (0.51) | GSK3B | |
| Bromide SCHEMBL3902828 | 0.84 | GSK3B (0.53) | GSK3B | |
| SCHEMBL3659663 | 0.84 | GSK3B (0.51) | GSK3B | |
| SCHEMBL3658358 | 0.84 | GSK3B (0.52) | GSK3B | |
| SCHEMBL2064447 | 0.83 | GSK3B (0.50) | GSK3B | |
| Hydrochloric Acid SCHEMBL4212510 | 0.83 | GSK3B (0.51) | GSK3B | |
| SCHEMBL2064851 | 0.81 | GSK3B (0.48) | GSK3B | |
| SCHEMBL2065123 | 0.81 | GSK3B (0.47) | GSK3B | |
| SCHEMBL3396964 | 0.79 | GSK3B (0.46) | GSK3B |
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-2238140-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| EP-2238141-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009095789-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |
| WO-2009095792-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |