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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.37 |
| ▸ | ADH1C | P00326 | 1/20 | 0.37 |
| ▸ | ADH1A | P07327 | 1/20 | 0.37 |
| ▸ | ADH4 | P08319 | 1/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 3/20 | 0.36 |
| ▸ | CASP2 | P42575 | 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 | |
|---|---|---|---|---|
| SCHEMBL6733805 | 0.98 | EPHX1 (0.42) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| SCHEMBL11779761 | 0.98 | EPHX1 (0.42) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| SCHEMBL3284736 | 0.98 | EPHX1 (0.42) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL9794765 | 0.96 | EPHX1 (0.41) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| Water SCHEMBL11079481 | 0.96 | EPHX1 (0.41) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL2059994 | 0.96 | EPHX1 (0.41) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL9575904 | 0.96 | EPHX1 (0.41) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| Bromide SCHEMBL9575617 | 0.89 | HRH3 (0.46) | ALDH1A1 | |
| SCHEMBL3286949 | 0.89 | TSHR (0.36) | EPHX1LMNAALDH1A1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL9575605 | 0.85 | HRH3 (0.46) | 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 2 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 |