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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
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 SCHEMBL986162 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL2831718 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL196879 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL29179 | 0.95 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL30770772 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL9322645 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL28797563 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL689027 | 0.92 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL3930010 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL7164452 | 0.92 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090326188-A1 | Method for producing polyarylene | SUMITOMO CHEMICAL COMPANY, LIMITED | 2009-12-31 | — | — | US | disclosed |