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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 5/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | GALR1 | P47211 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28467377 | 0.96 | GPR3 (0.46) | GPR3KIF11CETPCHRM2CHRM1 | |
| Bromide SCHEMBL27219502 | 0.84 | GPR3 (0.32) | GPR3 | |
| SCHEMBL3147185 | 0.82 | GPR3 (0.50) | GPR3KIF11CETPCHRM2CHRM1 | |
| SCHEMBL99250 | 0.76 | FFAR1 (0.50) | GPR3CHRM2CHRM1CHRM3SLC22A12 | |
| SCHEMBL2094855 | 0.76 | GPR3 (0.45) | GPR3KIF11CETPCHRM2CHRM1 | |
| SCHEMBL254534 | 0.74 | GPR3 (0.50) | GPR3KIF11CETPCHRM2CHRM1 | |
| SCHEMBL3146332 | 0.74 | GPR3 (0.44) | GPR3KIF11CETPCHRM2CHRM1 | |
| SCHEMBL29435934 | 0.74 | GPR3 (0.50) | GPR3KIF11CETPCHRM2CHRM1 | |
| Bromide SCHEMBL29154792 | 0.73 | EPHX2 (0.50) | GPR3KIF11PIM1PIM2 | |
| SCHEMBL1523 | 0.72 | CYP3A4 (0.54) | GPR3KIF11XDH |
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 |
|---|---|---|---|---|---|---|---|
| CN-112759546-B | 3- (dimethylaminomethyl) piperidin-4-ol derivatives, their preparation and their pharmaceutical use | 复旦大学 | 2022-08-26 | — | — | CN | disclosed |
| CN-112759546-A | 3- (dimethylaminomethyl) piperidin-4-ol derivatives, their preparation and their pharmaceutical use | 复旦大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-105101967-B | As thrombocytin 5-HT2CThe benzazepines of receptors ligand and its application | 雅培控股公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-105101967-A | Benzazepines as serotonin 5-ht2c receptor ligands and uses thereof | ABT HOLDING CO | 2015-11-25 | — | — | CN | disclosed |