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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAO1 | P09471 | 14/20 | 0.93 |
| ▸ | GNAI3 | P08754 | 13/20 | 0.93 |
| ▸ | GNAI1 | P63096 | 13/20 | 0.93 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27389928 | 0.98 | GNAO1 (0.96) | GNAO1GNAI3GNAI1EPHX1HRH4 | |
| Hydrochloric Acid SCHEMBL5370724 | 0.96 | GNAO1 (1.00) | GNAO1GNAI3GNAI1EPHX1HRH4 | |
| SCHEMBL3260063 | 0.96 | GNAO1 (0.92) | GNAO1GNAI3GNAI1EPHX1HRH4 | |
| SCHEMBL4974361 | 0.90 | GNAO1 (0.81) | GNAO1GNAI3GNAI1HRH4TSHR | |
| SCHEMBL9214517 | 0.88 | GNAI3 (0.78) | GNAO1GNAI3GNAI1 | |
| SCHEMBL9214500 | 0.88 | GNAI3 (0.78) | GNAO1GNAI3GNAI1 | |
| Bromide SCHEMBL27689010 | 0.84 | GNAI3 (0.66) | GNAO1GNAI3GNAI1HRH4 | |
| SCHEMBL8412464 | 0.83 | GNAI3 (0.70) | GNAO1GNAI3GNAI1EPHX1ALDH1A1 | |
| SCHEMBL28627512 | 0.83 | GNAI3 (0.70) | GNAO1GNAI3GNAI1EPHX1ALDH1A1 | |
| SCHEMBL28641324 | 0.83 | GNAI3 (0.70) | GNAO1GNAI3GNAI1EPHX1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100463720-C | Phase-transferring catalyst containing dinaphthalene chiral double-spiral quaternary ammonium and its production | UNIV TIANJIN (CN) | 2009-02-25 | — | — | CN | disclosed |
| CN-101073780-A | Phase-transferring catalyst containing dinaphthalene chiral double-spiral quaternary ammonium and its production | UNIV TIANJIN (CN) | 2007-11-21 | — | — | CN | disclosed |