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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.41 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13517126 | 0.99 | CHRM3 (0.41) | CHRM3CHRM2CHRM1GAAALDH1A1 | |
| SCHEMBL13517225 | 0.84 | ALDH1A1 (0.41) | CHRM3CHRM2CHRM1GAAALDH1A1 | |
| SCHEMBL13517519 | 0.83 | CHRM3 (0.49) | CHRM3CHRM2CHRM1GAAALDH1A1 | |
| SCHEMBL13517032 | 0.83 | CHRNB4 (0.41) | CHRM3CHRM1GAACHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL13729124 | 0.83 | ALDH1A1 (0.43) | CHRM3CHRM2CHRM1GAAALDH1A1 | |
| SCHEMBL227333 | 0.81 | CHRM3 (0.53) | CHRM3CHRM2CHRM1ALDH1A1CHRNA7 | |
| SCHEMBL227334 | 0.81 | CHRM3 (0.53) | CHRM3CHRM2CHRM1ALDH1A1CHRNA7 | |
| SCHEMBL13516907 | 0.79 | CHRNA7 (0.57) | CHRM3CHRM2CHRM1CHRNB2CHRNB4 | |
| SCHEMBL13516906 | 0.79 | CHRNA7 (0.57) | CHRM3CHRM2CHRM1CHRNB2CHRNB4 | |
| SCHEMBL227458 | 0.78 | CHRM3 (0.50) | CHRM3CHRM2CHRM1ALDH1A1CHRNA7 |
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-2702041-A1 | ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | Chiesi Farmaceutici S.p.A. (IT) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012146515-A1 | ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-11-01 | — | — | WO | disclosed |