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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 16/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
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 SCHEMBL5085165 | 1.00 | KIF11 (0.80) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6226052 | 0.98 | KIF11 (0.83) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Iodide SCHEMBL5092391 | 0.96 | KIF11 (0.80) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5085141 | 0.96 | KIF11 (0.80) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Iodide SCHEMBL5092420 | 0.96 | KIF11 (0.80) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5086796 | 0.96 | KIF11 (0.80) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL14976365 | 0.91 | KIF11 (0.95) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2679441 | 0.89 | KIF11 (1.00) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Water SCHEMBL11129297 | 0.87 | KIF11 (0.95) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29060869 | 0.83 | KIF11 (0.88) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214386-A1 | Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-09-04 | — | — | US | disclosed |