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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL6151762 | 0.94 | CA12 (0.39) | CA12CA1CA9ALDH1A1ALDH2 | |
| Hydrochloric Acid SCHEMBL3592047 | 0.94 | CA12 (0.39) | CA12CA1CA9ALDH1A1ALDH2 | |
| Bromide SCHEMBL6731553 | 0.92 | CA12 (0.37) | CA12CA1CA9ALDH1A1ALDH2 | |
| Bromide SCHEMBL6151303 | 0.88 | DNM1 (0.50) | CA12CA1CA9ALDH1A1CA2 | |
| Bromide SCHEMBL6150481 | 0.88 | DNM1 (0.50) | CA12CA1CA9ALDH1A1CA2 | |
| Iodide SCHEMBL4346703 | 0.86 | CA12 (0.37) | CA12CA1CA9ALDH1A1ALDH2 | |
| Bromide SCHEMBL7669293 | 0.86 | DNM1 (0.36) | CA12CA1CA9ALDH1A1ALDH2 | |
| Iodide SCHEMBL6151091 | 0.86 | CA12 (0.37) | CA12CA1CA9ALDH1A1ALDH2 | |
| Bromide SCHEMBL7929786 | 0.86 | CA12 (0.32) | CA12CA1CA9ALDH1A1ALDH2 | |
| Bromide SCHEMBL7929788 | 0.84 | DNM1 (0.33) | CA12CA1CA9CA2DNM1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115216010-A | Method for rapidly preparing polysulfone resin | 中国科学院长春应用化学研究所 | 2022-10-21 | — | — | CN | disclosed |
| 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 |
| EP-1015402-B1 | Method for producing compounds containing fluorine, in particular fluorobenzaldehydes and fluorobenzonitriles | CLARIANT GMBH (DE) | 2002-12-04 | — | — | 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-6166242-A | Method for producing compounds containing fluorine, in particular fluorobenzaldhydes and fluorobenzonitriles | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 2000-12-26 | — | — | US | disclosed |
| EP-1015402-A1 | METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES | Aventis Research & Technologies GmbH & Co. KG (DE) | 2000-07-05 | — | — | EP | 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 |
| WO-1999011588-A1 | METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1999-03-11 | — | — | WO | 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 |