Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11422473 | 0.97 | CHRNA7 (0.39) | CHRNA7CA4SNCAHIF1AHTR6 | |
| Bromide SCHEMBL5828503 | 0.81 | SLC6A4 (0.41) | CHRNA7SLC6A2SLC6A4SLC6A3TRAP1 | |
| Hydrochloric Acid SCHEMBL10750245 | 0.79 | TRAP1 (0.40) | CHRNA7CA4SNCAHIF1ATRAP1 | |
| Bromide SCHEMBL5419484 | 0.78 | SLC6A4 (0.43) | CHRNA7HTR6SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL1164751 | 0.78 | TSHR (0.46) | CHRNA7CA4SNCAMAOBL3MBTL1 | |
| Hydrochloric Acid SCHEMBL11183940 | 0.77 | TRAP1 (0.37) | HIF1AHTR6TRAP1L3MBTL1MAPT | |
| Bromide SCHEMBL70550 | 0.77 | HIF1A (0.44) | SNCAHIF1ASLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL5827732 | 0.76 | DPP4 (0.41) | CA4SNCATRAP1L3MBTL1MAPT | |
| Hydrochloric Acid SCHEMBL11175681 | 0.76 | TRAP1 (0.39) | HIF1ATRAP1L3MBTL1MAPTMAPK1 | |
| Bromide SCHEMBL5828745 | 0.75 | CLCN2 (0.38) | SNCAHIF1ATRAP1L3MBTL1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |