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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9575605 | 0.97 | HRH3 (0.46) | HRH3PPARAEPHX2KDM4EALDH1A1 | |
| Bromide SCHEMBL9575933 | 0.89 | EPHX1 (0.41) | ALDH1A1 | |
| SCHEMBL11779761 | 0.87 | EPHX1 (0.42) | ALDH1A1 | |
| SCHEMBL6733805 | 0.87 | EPHX1 (0.42) | ALDH1A1 | |
| SCHEMBL3284736 | 0.87 | EPHX1 (0.42) | ALDH1A1 | |
| Cadaverine Tartrate SCHEMBL9575890 | 0.85 | EPHX2 (0.45) | HRH3PPARAEPHX2FAAH | |
| Water SCHEMBL11079481 | 0.85 | EPHX1 (0.41) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9794765 | 0.85 | EPHX1 (0.41) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9575904 | 0.85 | EPHX1 (0.41) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2059994 | 0.85 | EPHX1 (0.41) | ALDH1A1 |
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 |