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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 SCHEMBL7929788 | 0.97 | DNM1 (0.33) | CA12CA1CA9CA2PLA2G1B | |
| Bromide SCHEMBL6731553 | 0.95 | CA12 (0.37) | CA12CA1CA9CA2PLA2G1B | |
| Iodide SCHEMBL6151091 | 0.90 | CA12 (0.37) | CA12CA1CA9CA2PLA2G1B | |
| Iodide SCHEMBL4346703 | 0.90 | CA12 (0.37) | CA12CA1CA9CA2PLA2G1B | |
| Bromide SCHEMBL6151479 | 0.86 | CA12 (0.39) | CA12CA1CA9CA2PLA2G1B | |
| Bromide SCHEMBL7632318 | 0.85 | DNM1 (0.44) | CA12CA1CA9CA2PLA2G1B | |
| Bromide SCHEMBL1357711 | 0.85 | DNM1 (0.44) | CA12CA1CA9CA2PLA2G1B | |
| SCHEMBL4336559 | 0.81 | ALDH1A1 (0.39) | CA12CA1CA9CA2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3592047 | 0.80 | CA12 (0.39) | CA12CA1CA9CA2PLA2G1B | |
| Iodide SCHEMBL6151762 | 0.80 | CA12 (0.39) | CA12CA1CA9CA2PLA2G1B |
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-0923508-B1 | PROCESS FOR PREPARING FLUORINE-CONTAINING COMPOUNDS | AVENTIS RES & TECH GMBH & CO (DE) | 2001-11-14 | — | — | EP | disclosed |
| US-6184425-B1 | REACTING A NUCLEOPHILIC AROMATIC COMPOUND CONTAINING A FLUORINE-EXCHANGEABLE HALOGEN WITH A AN ALKALI, ALKALINE OR AMMONIUM FLUORIDE IN THE PRESENCE OF A PHOPHOSPHONIUM COMPOUND AT LOW TEMPERATURES; SHORT REACTION TIMES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. (DE) | 2001-02-06 | — | — | US | disclosed |
| EP-0923508-A2 | PROCESS FOR PREPARING FLUORINE-CONTAINING COMPOUNDS | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998005610-A2 | PROCESS FOR PREPARING FLUORINE-CONTAINING COMPOUNDS | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-02-12 | — | — | WO | disclosed |