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 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.35 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.35 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828848 | 0.84 | CES2 (0.50) | CES2FAAHTSHRRAD52HTR2C | |
| Bromide SCHEMBL9827836 | 0.81 | HSP90AA1 (0.48) | TSHRHSP90AA1RAD52CHRM2ADRA2A | |
| Bromide SCHEMBL9830093 | 0.81 | HSP90AA1 (0.48) | TSHRHSP90AA1RAD52CHRM2ADRA2A | |
| SCHEMBL10767953 | 0.80 | CHRM2 (0.47) | TSHRHSP90AA1RAD52CHRM2ADRA2A | |
| SCHEMBL8057987 | 0.76 | NAAA (0.55) | FAAHTSHRHSP90AA1RAD52CHRM2 | |
| Bromide SCHEMBL9828799 | 0.76 | ACHE (0.41) | TSHRHSP90AA1RAD52CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL9742108 | 0.75 | NAAA (0.53) | FAAHTSHRRAD52CHRM2ADRA2A | |
| SCHEMBL9828285 | 0.74 | PAM (0.49) | CES2FAAHTSHRLMNAHTR2C | |
| Bromide SCHEMBL9829159 | 0.74 | ACHE (0.45) | TSHRHSP90AA1RAD52CHRM2ADRA2A | |
| Bromide SCHEMBL10451433 | 0.74 | ACHE (0.45) | TSHRHSP90AA1RAD52CHRM2ADRA2A |
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-A1 | PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. | LEO PHARM PROD LTD (DK) | 1987-12-02 | — | — | EP | disclosed |
| WO-1987003281-A1 | PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1987-06-04 | — | — | WO | disclosed |