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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 20/20 | 0.73 |
| ▸ | ADRB1 known ✓ | P08588 | 16/20 | 0.73 |
| ▸ | ADRA1D known ✓ | P25100 | 16/20 | 0.73 |
| ▸ | DRD2 | P14416 | 15/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL541796 | 0.99 | ADRB2 (0.74) | ADRB2ADRB1ADRA1DDRD2 | |
| Hydrochloric Acid SCHEMBL1803278 | 0.98 | ADRB2 (0.73) | ADRB2ADRB1ADRA1DDRD2 | |
| SCHEMBL1800697 | 0.95 | ADRB2 (0.74) | ADRB2ADRB1ADRA1DDRD2 | |
| Hydrochloric Acid SCHEMBL1800815 | 0.94 | ADRB2 (0.73) | ADRB2ADRB1ADRA1DDRD2 | |
| SCHEMBL1799245 | 0.94 | ADRB2 (0.75) | ADRB2ADRB1ADRA1DDRD2 | |
| SCHEMBL1800291 | 0.92 | ADRB2 (0.76) | ADRB2ADRB1ADRA1DDRD2 | |
| SCHEMBL1801963 | 0.92 | ADRB2 (0.72) | ADRB2ADRB1ADRA1DDRD2 | |
| Hydrochloric Acid SCHEMBL1799904 | 0.91 | ADRB2 (0.75) | ADRB2ADRB1ADRA1DDRD2 | |
| SCHEMBL1798744 | 0.91 | ADRB2 (0.69) | ADRB2ADRB1ADRA1DDRD2 | |
| Hydrochloric Acid SCHEMBL1800620 | 0.91 | ADRB2 (0.71) | ADRB2ADRB1ADRA1DDRD2 |
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-2414376-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A STEROIDAL[3,2-C]PYRAZOLE DERIVATIVE AND A SECOND PHARMACEUTICALLY ACTIVE COMPOUND | AstraZeneca AB (SE) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114472-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A STEROIDAL[3,2-C]PYRAZOLE DERIVATIVE AND A SECOND PHARMACEUTICALLY ACTIVE COMPOUND | ASTRAZENECA AB (SE) | 2010-10-07 | — | — | WO | disclosed |