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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 19/20 | 0.62 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.48 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL1827166 | 0.99 | ADRB2 (0.63) | ADRB2ABCB11ADRB1DRD2ADRA1D | |
| SCHEMBL1827610 | 0.97 | ADRB2 (0.66) | ADRB2ABCB11ADRB1DRD2ADRA1D | |
| SCHEMBL4443114 | 0.88 | ADRB2 (0.68) | ADRB2ABCB11 | |
| SCHEMBL2211014 | 0.88 | ADRB2 (0.65) | ADRB2ABCB11ADRB1DRD2 | |
| SCHEMBL2211009 | 0.86 | ADRB2 (0.67) | ADRB2ABCB11ADRB1DRD2 | |
| SCHEMBL435245 | 0.85 | ADRB2 (0.56) | ADRB2ABCB11ADRB1DRD2ADRA1D | |
| Trifluoroacetic Acid SCHEMBL2208487 | 0.84 | ADRB2 (0.49) | ADRB2ADRB1DRD2ADRA1D | |
| SCHEMBL27810572 | 0.84 | ADRB2 (0.56) | ADRB2ABCB11ADRB1DRD2ADRA1D | |
| SCHEMBL17101482 | 0.81 | ADRB2 (0.51) | ADRB2ABCB11ADRB1DRD2ADRA1D | |
| Bromide SCHEMBL1682997 | 0.81 | ADRB2 (0.59) | ADRB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2315589-A1 | PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A beta2-ADRENOCEPTOR AGONIST | AstraZeneca AB (SE) | 2011-05-04 | — | — | EP | disclosed |