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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 SCHEMBL7877084 | 1.00 | TSHR (0.35) | TSHRALDH1A1HIF1AALOX15 | |
| Bromide SCHEMBL2448830 | 0.79 | HIF1A (0.43) | TSHRALDH1A1HIF1A | |
| Bromide SCHEMBL2450382 | 0.77 | ALDH1A1 (0.39) | TSHRALDH1A1HIF1AALOX15 | |
| Phosphine SCHEMBL28255509 | 0.75 | ALDH1A1 (0.38) | TSHRALDH1A1HIF1AALOX15 | |
| SCHEMBL35319498 | 0.74 | ALDH1A1 (0.41) | TSHRALDH1A1HIF1AALOX15 | |
| Fluoride Ion SCHEMBL9405342 | 0.72 | ALDH1A1 (0.39) | TSHRALDH1A1HIF1AALOX15 | |
| Iodide SCHEMBL26969679 | 0.72 | ALDH1A1 (0.39) | TSHRALDH1A1HIF1AALOX15 | |
| Hydrochloric Acid SCHEMBL28633975 | 0.72 | ALDH1A1 (0.39) | TSHRALDH1A1HIF1AALOX15 | |
| SCHEMBL30534983 | 0.71 | KDM4E (0.39) | TSHRALDH1A1ALOX15 | |
| Bromide SCHEMBL3963166 | 0.70 | HIF1A (0.36) | TSHRALDH1A1HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6169209-B1 | BRINGING AN ORGANIC PHOSPHONIUM BROMIDE INTO CONTACT WITH A CHLORIDE ION IN A HETEROGENEOUS MIXTURE SOLUTION COMPRISING WATER AND AN ORGANIC SOLVENT TO FORM ORGANIC PHOSPHONIUM CHLORIDE | UBE INDUSTRIES, LTD. (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-0296550-B1 | Phosphonium salts and processes for production of and uses for the same | KURARAY CO (JP) | 1993-12-29 | — | — | EP | disclosed |