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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.54 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CIT | O14578 | 2/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | PRKCB | P05771 | 1/20 | 0.30 |
| ▸ | PRKCA | P17252 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2391380 | 0.97 | ADRB2 (0.56) | ADRB2PDE2AACACBCYP1A2CYP2D6 | |
| SCHEMBL1140338 | 0.97 | ADRB2 (0.56) | ADRB2PDE2AACACBCYP1A2CYP2D6 | |
| SCHEMBL9395164 | 0.97 | ADRB2 (0.56) | ADRB2PDE2AACACBCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL22345010 | 0.95 | ADRB2 (0.54) | ADRB2PDE2AACACBCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL31430963 | 0.95 | ADRB2 (0.54) | ADRB2PDE2AACACBCYP1A2CYP2D6 | |
| SCHEMBL1314596 | 0.83 | ADRB2 (0.72) | ADRB2PDE2AROCK2ROCK1APEX1 | |
| SCHEMBL11086725 | 0.77 | DPP4 (0.36) | ADRB2ACACBCYP1A2CYP2D6APEX1 | |
| Bromide SCHEMBL25270751 | 0.76 | ADRB2 (0.56) | ADRB2PDE2AROCK2ROCK1 | |
| SCHEMBL10714 | 0.75 | TYR (0.46) | ACACBCYP1A2CYP2D6IDO1 | |
| SCHEMBL672518 | 0.75 | ESR1 (0.52) | ADRB2ACACBCYP1A2CYP2D6APEX1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023109973-A1 | PEROVSKITE METAL HALIDE ZERO-DIMENSIONAL QUANTUM DOT COMPOSITE MATERIAL AND PREPARATION METHOD THEREFOR, AND USE OF ORGANIC AMINE SALT | 南开大学 | 2023-06-22 | — | — | WO | disclosed |
| CN-114149641-B | Perovskite metal halide zero-dimensional quantum dot/polymer composite material, preparation method thereof and application of organic amine salt | 南开大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-114369453-A | Perovskite metal halide zero-dimensional quantum dot composite material, preparation method thereof and application of organic amine salt | 南开大学 | 2022-04-19 | — | — | CN | disclosed |
| CN-114195650-A | Perovskite metal halide zero-dimensional quantum dot composite material, preparation method thereof and application of organic amine salt | 南开大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-114149641-A | Perovskite metal halide zero-dimensional quantum dot/polymer composite material, preparation method thereof and application of organic amine salt | 南开大学 | 2022-03-08 | — | — | CN | disclosed |