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 | |
|---|---|---|---|---|
| ▸ | P2RY12 known ✓ | Q9H244 | 5/20 | 0.50 |
| ▸ | PDE3B | Q13370 | 8/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 8/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.50 |
| ▸ | PDE2A | O00408 | 3/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412499 | 0.91 | PDE3B (0.52) | PDE3BPDE3AP2RY12ITGB3ITGA2B | |
| Bromide SCHEMBL9412454 | 0.85 | HDAC6 (0.40) | PDE3BPDE3AP2RY12ITGB3ITGA2B | |
| Bromide SCHEMBL9412756 | 0.83 | CNR2 (0.43) | ITGB3ITGA2BHDAC6 | |
| SCHEMBL9412490 | 0.81 | HDAC6 (0.40) | ITGB3ITGA2BHDAC6NPY1R | |
| Bromide SCHEMBL9412596 | 0.80 | HDAC1 (0.45) | ITGB3ITGA2BHDAC6 | |
| Bromide SCHEMBL9412526 | 0.79 | HDAC6 (0.44) | ITGB3ITGA2BHDAC6 | |
| SCHEMBL9412444 | 0.78 | HDAC6 (0.45) | ITGB3ITGA2BHDAC6 | |
| SCHEMBL9412582 | 0.76 | PDE3B (0.38) | PDE3BPDE3AP2RY12ITGB3ITGA2B | |
| Bromide SCHEMBL9412580 | 0.75 | KDM4E (0.52) | — | |
| Bromide SCHEMBL9412462 | 0.74 | ITGB3 (0.56) | ITGB3ITGA2B |
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-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | disclosed |