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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.47 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.47 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.47 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27262992 | 0.90 | PLA2G1B (0.47) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL8518464 | 0.84 | KCNH2 (0.47) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL27494215 | 0.83 | SIGMAR1 (0.48) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| Bromide SCHEMBL2252483 | 0.82 | DNM1 (0.57) | KCNH2PLA2G1BPLA2G2ADNM1MGLL | |
| Bromide SCHEMBL27808694 | 0.82 | DNM1 (0.57) | KCNH2PLA2G1BPLA2G2ADNM1MGLL | |
| SCHEMBL5163469 | 0.81 | DNM1 (0.42) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL10875448 | 0.81 | DNM1 (0.42) | KCNH2CACNA1FCHRM2ADRA2BADRA2C | |
| SCHEMBL25341537 | 0.80 | KCNH2 (0.57) | KCNH2PLA2G1BPLA2G2ADNM1MGLL | |
| SCHEMBL11336824 | 0.80 | KCNH2 (0.57) | KCNH2PLA2G1BPLA2G2ADNM1MGLL | |
| SCHEMBL15993932 | 0.80 | KCNH2 (0.57) | KCNH2PLA2G1BPLA2G2ADNM1MGLL |
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-0371406-B1 | OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1993-08-04 | — | — | EP | disclosed |
| US-5076828-A | Immersing seeds into quaternary solution prior to planting | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1991-12-31 | — | — | US | disclosed |
| EP-0371406-A1 | Oxyalkylated quaternary ammonium compounds, processes for production thereof, and plant growth regulating compositions containing said compounds | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1990-06-06 | — | — | EP | disclosed |