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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.30 |
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 SCHEMBL29201371 | 0.83 | SLC6A2 (0.40) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL29201384 | 0.79 | SLC6A2 (0.40) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| Iodide SCHEMBL29201398 | 0.79 | SLC6A2 (0.40) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| Bromide SCHEMBL17396287 | 0.77 | SLC6A2 (0.35) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL11606388 | 0.69 | KIF11 (0.31) | TAAR1 | |
| Bromide SCHEMBL29201434 | 0.69 | ALDH1A1 (0.35) | TAAR1 | |
| Benzylimidazole SCHEMBL16237306 | 0.68 | CHKA (0.46) | LMNASMN1; SMN2 | |
| Benzylimidazole SCHEMBL339106 | 0.66 | ALDH1A1 (0.46) | LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL29201338 | 0.66 | ALDH1A1 (0.35) | TAAR1 | |
| Iodide SCHEMBL29201303 | 0.66 | ALDH1A1 (0.35) | TAAR1 |
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-2044169-A1 | USE OF PT- AND PD-BIS- AND TETRA-CARBON COMPLEXES WITH BRIDGED CARBON LIGANDS IN OLEDS | BASF SE (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008000726-A1 | USE OF PT- AND PD-BIS- AND TETRA-CARBON COMPLEXES WITH BRIDGED CARBON LIGANDS IN OLEDS | BASF SE (DE) | 2008-01-03 | — | — | WO | disclosed |