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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9661802 | 0.97 | MEN1 (0.46) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL9663297 | 0.95 | CA1 (0.46) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Hydrochloric Acid SCHEMBL9662482 | 0.94 | MEN1 (0.45) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Hydrochloric Acid SCHEMBL9663126 | 0.94 | MEN1 (0.45) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Hydrochloric Acid SCHEMBL9661810 | 0.93 | CA1 (0.44) | MEN1HSP90AA1KMT2ASMN1; SMN2CA1 | |
| Hydrochloric Acid SCHEMBL9661559 | 0.87 | MEN1 (0.39) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Phosphoric Acid SCHEMBL9661913 | 0.87 | FDPS (0.52) | — | |
| Phosphoric Acid SCHEMBL9663269 | 0.87 | FDPS (0.52) | — | |
| Phosphoric Acid SCHEMBL9663279 | 0.87 | FDPS (0.52) | — | |
| Phosphoric Acid SCHEMBL9661936 | 0.87 | FDPS (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0131302-B1 | IMIDAZOLIUM SALTS, INTERMEDIATES THERETO AND THEIR USE | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-01-29 | — | — | EP | disclosed |
| US-4689341-A | Antiarrhythmic imidazoles | SCHERING A.G. (DE) | 1987-08-25 | — | — | US | disclosed |
| US-4613609-A | Antiarrhythmic imidazoliums | SCHERING A. G. (DE) | 1986-09-23 | — | — | US | disclosed |
| US-4581370-A | Antiarrhythmic imidazoliums | SCHERING A.G. (DE) | 1986-04-08 | — | — | US | disclosed |
| EP-0131302-A2 | Imidazolium salts, intermediates thereto and their use | SCHERING AKTIENGESELLSCHAFT (DE) | 1985-01-16 | — | — | EP | disclosed |