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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 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 SCHEMBL5809886 | 0.84 | HIF1A (0.48) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL702655 | 0.81 | PRSS1 (0.33) | — | |
| SCHEMBL28550618 | 0.80 | CYP24A1 (0.31) | — | |
| SCHEMBL706845 | 0.77 | KCNH2 (0.33) | ALDH1A1CYP1A2TSHRCYP2C19 | |
| SCHEMBL3456560 | 0.76 | — | — | |
| SCHEMBL2008257 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL28549733 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL15643948 | 0.75 | PTGS2 (0.30) | — | |
| SCHEMBL8322524 | 0.74 | KDM4E (0.32) | CYP2D6 | |
| SCHEMBL268445 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0930298-B1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2002-12-18 | — | — | EP | disclosed |
| US-6040449-A | USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-03-21 | — | — | US | disclosed |
| US-5948792-A | POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-07 | — | — | US | disclosed |