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 | 0.48 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.48 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.48 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.48 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.48 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | RAD52 | P43351 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
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 SCHEMBL9827836 | 1.00 | HSP90AA1 (0.48) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| SCHEMBL10767953 | 0.99 | CHRM2 (0.47) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL9829227 | 0.93 | HSP90AA1 (0.55) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL9829776 | 0.93 | HSP90AA1 (0.55) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL9830784 | 0.90 | HSP90AA1 (0.47) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL9829447 | 0.90 | HSP90AA1 (0.47) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL9828676 | 0.90 | HSP90AA1 (0.47) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL10451433 | 0.84 | ACHE (0.45) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL9829159 | 0.84 | ACHE (0.45) | HSP90AA1RAD52CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL9827949 | 0.84 | HSP90AA1 (0.45) | HSP90AA1RAD52CHRM2ADRA2AADORA3 |
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-0247201-B1 | PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1991-05-15 | — | — | EP | disclosed |
| US-4945098-A | Novel propane-1,3-diol derivatives and use | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1990-07-31 | — | — | US | disclosed |