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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.41 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.50 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.50 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.50 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.50 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.50 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.50 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.50 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.50 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 4/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL14917356 | 1.00 | ADCY6 (0.50) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| Bromide SCHEMBL14917391 | 1.00 | ADCY6 (0.50) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL14925144 | 0.98 | ADCY6 (0.52) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL14925149 | 0.98 | ADCY6 (0.52) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| Bromide SCHEMBL3503361 | 0.82 | ADCY6 (0.74) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL232676 | 0.80 | ADCY6 (0.77) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL30578821 | 0.80 | ADCY6 (0.77) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL30578817 | 0.80 | ADCY6 (0.77) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| Hydrochloric Acid SCHEMBL3322965 | 0.78 | ADCY6 (0.74) | ADCY6ADCY3ADCY9ADCY5ADCY8 | |
| SCHEMBL19599676 | 0.78 | PNMT (0.37) | PNMTADRA2AADRA2BADRA2CASIC3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110172051-B | IRE-1 alpha inhibitors | 复星弘创(苏州)医药科技有限公司 | 2023-03-07 | — | — | CN | disclosed |