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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.34 |
| ▸ | PLA2G5 | P39877 | 2/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5133205 | 0.96 | CYP1A2 (0.42) | CYP1A2MAPK1SMN1; SMN2SIGMAR1PLA2G10 | |
| SCHEMBL16656254 | 0.92 | CYP1A2 (0.45) | CYP1A2MAPK1SMN1; SMN2SIGMAR1PLA2G10 | |
| SCHEMBL8515417 | 0.91 | PAOX (0.44) | CYP1A2MAPK1SMN1; SMN2SIGMAR1CACNA1H | |
| SCHEMBL15938241 | 0.88 | GLA (0.43) | CYP1A2MAPK1SMN1; SMN2SIGMAR1PLA2G10 | |
| SCHEMBL20678135 | 0.88 | GLA (0.43) | CYP1A2MAPK1SMN1; SMN2SIGMAR1PLA2G10 | |
| SCHEMBL16656264 | 0.87 | PAOX (0.44) | CYP1A2MAPK1SMN1; SMN2SIGMAR1PLA2G10 | |
| Bromide SCHEMBL5132386 | 0.87 | SIGMAR1 (0.34) | CYP1A2MAPK1SMN1; SMN2SIGMAR1PLA2G10 | |
| Bromide SCHEMBL5133339 | 0.86 | RAB9A (0.35) | CYP1A2MAPK1SMN1; SMN2SIGMAR1 | |
| Bromide SCHEMBL5126215 | 0.85 | PLA2G10 (0.34) | SMN1; SMN2SIGMAR1PLA2G10PLA2G5CACNA1H | |
| Bromide SCHEMBL5133207 | 0.83 | PAOX (0.39) | SIGMAR1PLA2G10PLA2G5CACNA1HPAOX |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008134289-A2 | HIGH RELAXIVITY COORDINATIVELY UNSATURATED LANTHANIDE COMPLEXES | MALLINCKRODT INC. (US) | 2008-11-06 | — | — | WO | disclosed |