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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 11/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 11/20 | 0.64 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2054598 | 0.98 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL13166502 | 0.98 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL2249143 | 0.98 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL2244807 | 0.97 | CHRNB2 (0.64) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Bromide SCHEMBL5075013 | 0.86 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL13589901 | 0.84 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL26288696 | 0.84 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL5497908 | 0.84 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL6216449 | 0.83 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Bromide SCHEMBL27157764 | 0.83 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3 |
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-2014086453-A1 | AZAHETEROBICYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-12 | — | — | WO | disclosed |