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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.44 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.44 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 8/20 | 0.47 |
| ▸ | CD44 | P16070 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3944638 | 0.98 | ASIC3 (0.55) | ASIC3DRD2DRD3PLAUPNMT | |
| Hydrochloric Acid SCHEMBL29956163 | 0.96 | ASIC3 (0.53) | ASIC3DRD2DRD3PLAUPNMT | |
| SCHEMBL30688443 | 0.91 | PNMT (0.55) | DRD2DRD3PNMTADRA2AADRA2B | |
| SCHEMBL15331124 | 0.91 | PNMT (0.55) | DRD2DRD3PNMTADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL29955415 | 0.89 | PNMT (0.53) | DRD2DRD3PNMTADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL28685881 | 0.89 | PNMT (0.53) | DRD2DRD3PNMTADRA2AADRA2B | |
| SCHEMBL12672783 | 0.83 | CYP2A6 (0.42) | PLAU | |
| SCHEMBL30956943 | 0.83 | CYP2A6 (0.42) | PLAU | |
| Hydrochloric Acid SCHEMBL28927078 | 0.81 | CYP2A6 (0.41) | PLAU | |
| SCHEMBL25405565 | 0.80 | ASIC3 (0.55) | ASIC3DRD2DRD3PLAUPNMT |
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-2555768-A2 | IRE-1 INHIBITORS | MannKind Corporation (US) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011127070-A2 | IRE-1α INHIBITORS | MANNKIND CORPORATION (US) | 2011-10-13 | — | — | WO | disclosed |