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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 2/20 | 0.43 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
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 SCHEMBL9539628 | 0.97 | SNCA (0.41) | SNCATTRHTR2ASLC6A4LPAR1 | |
| Bromide SCHEMBL7929116 | 0.86 | HIF1A (0.38) | TTRHRH1 | |
| Bromide SCHEMBL5440664 | 0.85 | SNCA (0.45) | SNCA | |
| Bromide SCHEMBL9804327 | 0.83 | FDFT1 (0.42) | TTRLPAR1LPAR5 | |
| Bromide SCHEMBL8015170 | 0.79 | SNCA (0.51) | SNCA | |
| Bromide SCHEMBL30721146 | 0.79 | SNCA (0.51) | SNCA | |
| SCHEMBL13888115 | 0.76 | TTR (0.47) | TTRHTR2ASLC6A4LPAR1LPAR5 | |
| SCHEMBL10547891 | 0.76 | TTR (0.44) | TTRHTR2ASLC6A4LPAR1LPAR5 | |
| SCHEMBL3710992 | 0.76 | TTR (0.44) | TTRHTR2ASLC6A4LPAR1LPAR5 | |
| SCHEMBL10743171 | 0.76 | TTR (0.44) | TTRHTR2ASLC6A4LPAR1LPAR5 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1202948-B1 | PROCESSES FOR THE PREPARATION OF 2-ARYLVINYL ALKYL ETHER AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS | BASF AG (DE) | 2003-12-10 | — | — | EP | disclosed |
| EP-0811593-B1 | 1,4-diaryl-2-fluoro-2-butene insecticidal and acaricidal agents | BASF AG (DE) | 2002-07-24 | — | — | EP | disclosed |
| EP-1202948-A1 | PROCESSES FOR THE PREPARATION OF 2-ARYLVINYL ALKYL ETHER AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-08 | — | — | EP | disclosed |
| US-6291721-B1 | REACTING 2-ARYL ALDEHYDE COMPOUND WITH ALCOHOL OR HEATING ACETAL COMPOUND IN PRESENCE OF APROTIC SOLVENT TO PRODUCE2-ARYLVINYL ETHER COMPOUND | AMERICAN CYANAMID CO. | 2001-09-18 | — | — | US | disclosed |
| US-6235754-B1 | USING 1,4-DIARYL-(2-FLUORO- OR 2,3-DIFLUORO-)-2-BUTENE | AMERICAN CYANAMID COMPANY | 2001-05-22 | — | — | US | disclosed |
| WO-2001012578-A1 | PROCESSES FOR THE PREPARATION OF 2-ARYLVINYL ALKYL ETHER AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-22 | — | — | WO | disclosed |
| US-5998673-A | ENANTIOMORPHS; BROMINATION 4-ARYL-3-FLUORO-2-BUTEN-1-OL; REACTING WITH ARYLBORONIC ACID IN PRESENCE OF A CATALYST | AMERICAN CYANAMID COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0933027-A1 | Methods and compositions for protecting animals and humans against attack and infestation by arthropod and helminth parasites | American Cyanamid Company (US) | 1999-08-04 | — | — | EP | disclosed |
| US-5849958-A | 1,4,diaryl-2-fluoro-2-butene insecticidal and acaricidal agents | AMERICAN CYANAMID COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| EP-0811593-A1 | 1,4-diaryl-2-fluoro-2-butene insecticidal and acaricidal agents | American Cyanamid Company (US) | 1997-12-10 | — | — | EP | disclosed |
| EP-0240121-B1 | DIPHENYL ETHER DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-04-17 | — | — | EP | disclosed |
| EP-0390228-A2 | Chemical intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-10-03 | — | — | EP | disclosed |
| US-4791139-A | Diphenyl ether derivatives and their use as insecticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-13 | — | — | US | disclosed |
| EP-0240121-A2 | Diphenyl ether derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-10-07 | — | — | EP | disclosed |