Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL106555 | 0.98 | CES1 (0.47) | CES1CES2L3MBTL1MAPTTDP1 | |
| Bromide SCHEMBL8757443 | 0.93 | CES1 (0.49) | CES1CES2L3MBTL1MAPTTDP1 | |
| SCHEMBL3394492 | 0.93 | CES1 (0.49) | CES1CES2L3MBTL1MAPTTDP1 | |
| SCHEMBL4579630 | 0.92 | CES1 (0.42) | CES1CES2L3MBTL1MAPTTDP1 | |
| SCHEMBL107173 | 0.92 | CES1 (0.50) | CES1CES2L3MBTL1MAPTTDP1 | |
| SCHEMBL106336 | 0.92 | CES1 (0.50) | CES1CES2L3MBTL1MAPTTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL9716149 | 0.84 | KCNH2 (0.41) | CES1CES2 | |
| SCHEMBL12556749 | 0.83 | CES1 (0.46) | CES1CES2L3MBTL1MAPTTDP1 | |
| SCHEMBL10182488 | 0.83 | HSD17B3 (0.47) | CES1CES2L3MBTL1MAPTLMNA | |
| Bromide SCHEMBL10623084 | 0.82 | KMT2A (0.50) | CES1CES2L3MBTL1MAPTTDP1 |
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-0305041-B1 | PREPARATION OF IODONIUM AND SULFONIUM TRIFLATES | International Business Machines Corporation (US) | 1992-01-02 | — | — | EP | disclosed |
| EP-0305041-A1 | Preparation of iodonium and sulfonium triflates | International Business Machines Corporation (US) | 1989-03-01 | — | — | EP | disclosed |
| US-4786441-A | REACTING TRIMETHYLSILYL TRIFLATE WITH IODONIUM OR SULFONIUM HALIDE | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1988-11-22 | — | — | US | disclosed |