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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 14/20 | 0.57 |
| ▸ | PRKAA2 | P54646 | 6/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.52 |
| ▸ | PRKAB2 | O43741 | 5/20 | 0.51 |
| ▸ | PRKAG1 | P54619 | 5/20 | 0.51 |
| ▸ | PRKAA1 | Q13131 | 5/20 | 0.51 |
| ▸ | PRKAG3 | Q9UGI9 | 5/20 | 0.51 |
| ▸ | PRKAG2 | Q9UGJ0 | 5/20 | 0.51 |
| ▸ | PRKAB1 | Q9Y478 | 5/20 | 0.51 |
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 SCHEMBL3069488 | 0.94 | STAT3 (0.52) | STAT3PRKAA2PIK3CA | |
| Bromide SCHEMBL3062140 | 0.93 | PTGS2 (0.52) | STAT3PRKAA2PIK3CA | |
| SCHEMBL10180601 | 0.87 | STAT3 (0.62) | STAT3PRKAA2PIK3CAPRKAB2PRKAG1 | |
| Oxalic Acid SCHEMBL3068989 | 0.87 | STAT3 (0.59) | STAT3PRKAA2PIK3CAPRKAB2PRKAG1 | |
| SCHEMBL3050867 | 0.87 | SCN9A (0.53) | STAT3PRKAA2PIK3CA | |
| Oxalic Acid SCHEMBL15295456 | 0.85 | STAT3 (0.60) | STAT3PRKAA2PIK3CAPRKAB2PRKAG1 | |
| SCHEMBL3061312 | 0.85 | SCN9A (0.46) | STAT3 | |
| SCHEMBL3063504 | 0.85 | SCN9A (0.43) | STAT3 | |
| SCHEMBL3059801 | 0.84 | STAT3 (0.58) | STAT3PRKAA2PIK3CAPRKAB2PRKAG1 | |
| Bromide SCHEMBL3051472 | 0.83 | STAT3 (0.55) | STAT3PRKAA2PIK3CA |
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-2207773-B1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMA CO LTD (JP) | 2012-07-11 | — | — | EP | disclosed |