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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CB | P42338 | 20/20 | 0.55 |
| ▸ | PIK3CD | O00329 | 10/20 | 0.55 |
| ▸ | PIK3CA | P42336 | 10/20 | 0.55 |
| ▸ | PIK3CG | P48736 | 10/20 | 0.55 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1863568 | 0.99 | PIK3CB (0.56) | PIK3CBPIK3CDPIK3CAPIK3CGMTOR | |
| SCHEMBL1869817 | 0.90 | PIK3CB (0.57) | PIK3CBPIK3CDPIK3CAPIK3CGMTOR | |
| Bromide SCHEMBL1868104 | 0.84 | PIK3CB (0.68) | PIK3CBPIK3CDPIK3CAPIK3CGKCNH2 | |
| SCHEMBL1871780 | 0.83 | PIK3CB (0.69) | PIK3CBPIK3CDPIK3CAPIK3CGKCNH2 | |
| SCHEMBL1866542 | 0.83 | PIK3CB (0.52) | PIK3CBPIK3CDPIK3CAPIK3CG | |
| Bromide SCHEMBL1639537 | 0.81 | PIK3CB (0.68) | PIK3CBPIK3CDPIK3CAPIK3CG | |
| SCHEMBL1864101 | 0.81 | PIK3CB (0.68) | PIK3CBPIK3CDPIK3CAPIK3CGMTOR | |
| SCHEMBL1868654 | 0.80 | PIK3CB (0.69) | PIK3CBPIK3CDPIK3CAPIK3CGKCNH2 | |
| Bromide SCHEMBL1872307 | 0.80 | PIK3CB (0.59) | PIK3CBPIK3CDPIK3CAPIK3CGKCNH2 | |
| SCHEMBL1639150 | 0.80 | PIK3CB (0.69) | PIK3CBPIK3CDPIK3CAPIK3CG |
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-2493870-A1 | CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY | AstraZeneca AB (SE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011051704-A1 | CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY | ASTRAZENECA AB (SE) | 2011-05-05 | — | — | WO | disclosed |