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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.47 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.47 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.47 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.47 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.47 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.47 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27635314 | 0.98 | CHRM2 (0.45) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL5284689 | 0.98 | CHRM2 (0.45) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL5304036 | 0.98 | CHRM2 (0.45) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL28077649 | 0.96 | KMT2A (0.47) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL27656269 | 0.96 | CHRM2 (0.42) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL10673972 | 0.94 | CHRM2 (0.42) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Fluoride Ion SCHEMBL29252073 | 0.94 | CHRM2 (0.41) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL28057294 | 0.90 | RAD52 (0.48) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL5817346 | 0.90 | CHRM2 (0.48) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL5810876 | 0.90 | CHRM2 (0.48) | RAD52HSP90AA1CHRM2ADRA2AADORA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0616520-B1 | PHYTATE-ANTIMICROBIAL COMPOSITIONS IN ORAL CARE PRODUCTS | DOW CHEMICAL CO (US) | 1996-05-29 | — | — | EP | disclosed |
| EP-0616520-A1 | PHYTATE-ANTIMICROBIAL COMPOSITIONS IN ORAL CARE PRODUCTS. | DOW CHEMICAL CO (US) | 1994-09-28 | — | — | EP | disclosed |
| US-5300289-A | Cationic microbiocide and compatibilizer | THE DOW CHEMICAL COMPANY (US) | 1994-04-05 | — | — | US | disclosed |
| WO-1993011740-A1 | PHYTATE-ANTIMICROBIAL COMPOSITIONS IN ORAL CARE PRODUCTS | THE DOW CHEMICAL COMPANY (US) | 1993-06-24 | — | — | WO | disclosed |