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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 9/20 | 0.78 |
| ▸ | ADRA1B known ✓ | P35368 | 9/20 | 0.78 |
| ▸ | ADRA1D known ✓ | P25100 | 4/20 | 0.78 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.78 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.78 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.78 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.63 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.63 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.63 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.63 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.78 |
| ▸ | DRD3 | P35462 | 1/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.63 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.63 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.63 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL7826177 | 0.99 | ADRA1A (0.79) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| Bromide SCHEMBL7833561 | 0.94 | ADRA1A (0.75) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL7824819 | 0.93 | ADRA1A (0.76) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL20631454 | 0.91 | ADRA1A (0.92) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL20610682 | 0.91 | ADRA1A (0.81) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL8408731 | 0.91 | ADRA1A (0.74) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL20610512 | 0.90 | ADRA1A (0.79) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL10623369 | 0.89 | ADRA1A (0.78) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL9832332 | 0.88 | ADRA1A (0.76) | ADRA1AADRA1BADRA1DADRA2AADRA2B | |
| SCHEMBL20630864 | 0.88 | ADRA1A (0.79) | ADRA1AADRA1BADRA1DADRA2AADRA2B |
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-0750614-B1 | QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY | RECORDATI CHEM PHARM (CH) | 2001-05-23 | — | — | EP | disclosed |