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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | UGT2B7 | P16662 | 1/20 | 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 SCHEMBL23883176 | 0.84 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1PDGFRBPDGFRA | |
| Bromide SCHEMBL17048143 | 0.78 | APP (0.50) | CYP1A2ALDH1A1CYP3A4HSD17B10HPGD | |
| SCHEMBL5573799 | 0.76 | ASIC3 (0.53) | ASIC3CYP1A2CYP1A1CYP1B1ACACB | |
| SCHEMBL26080885 | 0.76 | UGT2B7 (0.42) | ASIC3CYP1A2CYP1A1CYP1B1ACACB | |
| SCHEMBL30447338 | 0.74 | ASIC3 (0.63) | ASIC3CYP1A2CYP1A1CYP1B1ACACB | |
| SCHEMBL10705668 | 0.74 | ASIC3 (0.63) | ASIC3CYP1A2CYP1A1CYP1B1ACACB | |
| Bromide SCHEMBL25416864 | 0.74 | KCNH2 (0.38) | CYP1A2ALDH1A1 | |
| Bromide SCHEMBL25415662 | 0.74 | MMP2 (0.38) | CYP1A2CYP1A1CYP1B1 | |
| Bromide SCHEMBL23883178 | 0.74 | CA12 (0.41) | CA1CA2CA9 | |
| Bromide SCHEMBL23883172 | 0.74 | GRM5 (0.45) | CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021202540-A1 | HSP70 INHIBITORS AND METHODS OF USING SAME | THE WISTAR INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |