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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.34 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7559700 | 1.00 | HIF1A (0.38) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL7042578 | 0.97 | HIF1A (0.38) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL8189357 | 0.97 | HIF1A (0.38) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL9061370 | 0.92 | TLR4 (0.35) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL9061377 | 0.92 | TLR4 (0.35) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL9061361 | 0.92 | TLR4 (0.35) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Bromide SCHEMBL7563821 | 0.89 | HRH3 (0.36) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Bromide SCHEMBL7563826 | 0.89 | HRH3 (0.36) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Bromide SCHEMBL129506 | 0.87 | HIF1A (0.48) | HIF1AALDH1A1GAASIGMAR1IDO1 | |
| Bromide SCHEMBL28548705 | 0.86 | HIF1A (0.40) | HIF1AMAPTALDH1A1GAASIGMAR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885861-B1 | LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION | CHISSO CORP SADAO NOGI (JP) | 2002-07-31 | — | — | EP | disclosed |
| US-6337034-B1 | COMPOUNDS HAVING WIDE TEMPERATURE RANGE OF LIQUID CRYSTAL PHASE, LOW VISCOSITY, LOW THRESHOLD VOLTAGE AND EXCELLENT STABILITY, WHICH ARE READILY MIXED WITH VARIOUS LIQUID CRYSTAL MATERIALS AND GOOD IN SOLUBILITY AT LOW TEMPERATURE | CHISSO CORPORATION (JP) | 2002-01-08 | — | — | US | disclosed |
| EP-0885875-A1 | VINYLENE COMPOUNDS AND LIQUID-CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1998-12-23 | — | — | EP | disclosed |
| EP-0885861-A1 | LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION | CHISSO CORPORATION (SADAO NOGI) (JP) | 1998-12-23 | — | — | EP | disclosed |
| EP-0688754-B1 | DICYCLOHEXYLETHYLENE DERIVATIVE | CHISSO CORP (JP) | 1998-10-07 | — | — | EP | disclosed |
| US-5641432-A | USEFUL IN LIQUID CRYSTAL COMPOSITIONS; WIDE LIQUID CRYSTAL PHASE TEMPERATURE RANGE, LOW VISCOSITY, HIGH STABILITY; COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS | CHISSO CORPORATION (JP) | 1997-06-24 | — | — | US | disclosed |
| EP-0688754-A1 | DICYCLOHEXYLETHYLENE DERIVATIVE | CHISSO CORPORATION (JP) | 1995-12-27 | — | — | EP | disclosed |
| EP-0418362-B1 | TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-01-04 | — | — | EP | disclosed |
| US-5209868-A | Liquid crystal medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| WO-1990012073-A1 | TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-10-18 | — | — | WO | disclosed |