Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.40 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | RAD52 | P43351 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 SCHEMBL17027655 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL19210213 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL9194597 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL8873590 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL193259 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL14894866 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL15798045 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| Bromide SCHEMBL15798390 | 0.98 | HTT (0.44) | HTTCA1CA2SMN1; SMN2LMNA | |
| SCHEMBL2328683 | 0.96 | HTT (0.46) | HTTCA1CA2SMN1; SMN2LMNA | |
| SCHEMBL9902243 | 0.96 | HTT (0.46) | HTTCA1CA2SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0765331-A1 | OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES | ZENECA LIMITED (GB) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995033754-A1 | OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES | ZENECA LIMITED (GB) | 1995-12-14 | — | — | WO | disclosed |