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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | GGPS1 | O95749 | 3/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6150481 | 1.00 | DNM1 (0.50) | DNM1TSHRTHRBCA12CA1 | |
| Hydrochloric Acid SCHEMBL6150730 | 0.94 | DNM1 (0.50) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL1357711 | 0.93 | DNM1 (0.44) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL7632318 | 0.93 | DNM1 (0.44) | DNM1TSHRTHRBCA12CA1 | |
| Iodide SCHEMBL6151558 | 0.90 | DNM1 (0.46) | DNM1TSHRTHRBCA12CA1 | |
| Iodide SCHEMBL6151014 | 0.90 | DNM1 (0.46) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL6151479 | 0.88 | CA12 (0.39) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL7624606 | 0.87 | DNM1 (0.50) | DNM1TSHRTHRBCA12CA1 | |
| Hydrochloric Acid SCHEMBL3587494 | 0.87 | DNM1 (0.44) | DNM1TSHRTHRBCA12CA1 | |
| Iodide SCHEMBL6151440 | 0.87 | DNM1 (0.44) | DNM1TSHRTHRBCA12CA1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944564-B9 | HALOGEN EXCHANGE REACTIONS AND USES THEREOF | ALBEMARLE CORP (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1054853-B1 | CATALYST RECOVERY FOR HALOGEN EXCHANGE REACTIONS | ALBEMARLE CORP (US) | 2003-03-19 | — | — | EP | disclosed |
| US-6455718-B1 | FOR CONTINUOUSLY RECOVERING CHLOROPENTAFLUOROBENZENE OR BROMOPENTAFLUOROBENZENE FROM VAPOR PHASE | ALBEMARLE CORPORATION | 2002-09-24 | — | — | US | disclosed |
| EP-0944564-B1 | HALOGEN EXCHANGE REACTIONS AND USES THEREOF | ALBEMARLE CORP (US) | 2002-03-20 | — | — | EP | disclosed |
| US-6241917-B1 | Halogen exchange reactions in preparing catalysts and their precursors | ALBEMARLE CORPORATION | 2001-06-05 | — | — | US | disclosed |
| US-6215032-B1 | SOLVENT EXTRACTION; SEPARATING AMINOPHOSPHONIUM CATALYST; FLUORINATION OF HALOAROMATIC COMPOUND BY REPLACEMENT REACTION WITH ALKALI METAL FLUORIDE | ALBEMARLE CORPORATION | 2001-04-10 | — | — | US | disclosed |
| US-5965781-A | PURIFYING THE CATALYST FOR IMPROVED PERFORMANCE BY DISSOLVING THE PHOSPHONIUM HALIDE IN A LIQUID CYCLIC ETHER, REMOVING THE SOLID IMPURITIES, ADDING A NONSOLVENT TO PRECIPITATE; REACTING AN ALKALI FLUORIDE AND HALO(S)BENZENE | ALBEMARLE CORPORATION (US) | 1999-10-12 | — | — | US | disclosed |
| US-5824827-A | Halogen exchange reactions | ALBEMARLE CORPORATION (US) | 1998-10-20 | — | — | US | disclosed |
| US-5789631-A | Production of perhalobenzenes | ALBEMARLE CORPORATION (US) | 1998-08-04 | — | — | US | disclosed |