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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RGS12 | O14924 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4366351 | 0.98 | HRH3 (0.32) | HRH3KDM4EMEN1RGS12NPC1 | |
| Hydrochloric Acid SCHEMBL4370726 | 0.96 | HRH3 (0.32) | HRH3KDM4EMEN1RGS12NPC1 | |
| Water SCHEMBL28178857 | 0.96 | HRH3 (0.32) | HRH3KDM4EMEN1RGS12NPC1 | |
| Bromide SCHEMBL15798392 | 0.93 | HTT (0.39) | HRH3CA1CA2KDM4EMEN1 | |
| Bromide SCHEMBL15798172 | 0.93 | HTT (0.39) | HRH3CA1CA2KDM4EMEN1 | |
| SCHEMBL4364560 | 0.93 | KMT2A (0.37) | HRH3CA1CA2KDM4EMEN1 | |
| SCHEMBL5287061 | 0.91 | KMT2A (0.40) | HRH3CA1CA2KDM4EMEN1 | |
| SCHEMBL19461099 | 0.91 | KMT2A (0.40) | HRH3CA1CA2KDM4EMEN1 | |
| SCHEMBL29560722 | 0.91 | KMT2A (0.40) | HRH3CA1CA2KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL4222967 | 0.91 | SMN1; SMN2 (0.36) | HRH3CA1CA2KDM4EMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015047647-A1 | ACTIVE IONIC LIQUID MIXTURES FOR OXIDIZING ALKYLAROMATIC COMPOUNDS | UOP LLC (US) | 2015-04-02 | — | — | WO | disclosed |
| US-20150094486-A1 | ACTIVE IONIC LIQUID MIXTURES FOR OXIDIZING ALKYLAROMATIC COMPOUNDS | UOP LLC (US) | 2015-04-02 | — | — | US | disclosed |
| WO-2009062742-A2 | POROUS SOLID ACID CATALYSTS, METHODS OF MANUFACTURING THE SAME, AND METHODS OF MANUFACTURING ORGANICS MOLECULES USING THE SAME | GRACE GMBH & CO. KG (DE) | 2009-05-22 | — | — | WO | disclosed |
| US-20060167235-A1 | Process for the preparation of ayl diazonium salts and reaction with nucleophiles | AVECIA PHARMACEUTICALS LIMTIED (GB) | 2006-07-27 | — | — | US | disclosed |
| EP-1636150-A1 | PROCESS FOR THE PREPARATION OF ARYL DIAZONIUM SALTS AND REACTION WITH NUCLEOPHILES | Avecia Pharmaceuticals Limited (GB) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004108633-A1 | PROCESS FOR THE PREPARATION OF ARYL DIAZONIUM SALTS AND REACTION WITH NUCLEOPHILES | AVECIA PHARMACEUTICALS LIMITED (GB) | 2004-12-16 | — | — | WO | disclosed |