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 | 5/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
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 SCHEMBL1357711 | 1.00 | DNM1 (0.44) | DNM1MGLLCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL1357923 | 0.95 | DNM1 (0.44) | DNM1MGLLCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL3587494 | 0.95 | DNM1 (0.44) | DNM1MGLLCA12CA1CA2 | |
| Iodide SCHEMBL6151440 | 0.95 | DNM1 (0.44) | DNM1MGLLCA12CA1CA2 | |
| Bromide SCHEMBL6151303 | 0.93 | DNM1 (0.50) | DNM1MGLLCA12CA1CA2 | |
| Bromide SCHEMBL6150481 | 0.93 | DNM1 (0.50) | DNM1MGLLCA12CA1CA2 | |
| Bromide SCHEMBL6731553 | 0.90 | CA12 (0.37) | DNM1MGLLCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL6150730 | 0.87 | DNM1 (0.50) | DNM1MGLLCA12CA1CA2 | |
| Iodide SCHEMBL4346703 | 0.85 | CA12 (0.37) | DNM1MGLLCA12CA1CA2 | |
| Bromide SCHEMBL7929786 | 0.85 | CA12 (0.32) | DNM1CA12CA1CA2CA9 |
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-1015402-B1 | Method for producing compounds containing fluorine, in particular fluorobenzaldehydes and fluorobenzonitriles | CLARIANT GMBH (DE) | 2002-12-04 | — | — | EP | 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 |