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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | BAX | Q07812 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL226327 | 0.94 | — | — | |
| SCHEMBL11028002 | 0.94 | — | — | |
| SCHEMBL26667995 | 0.90 | — | — | |
| SCHEMBL4468460 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27821919 | 0.90 | LTA4H (0.50) | LTA4HTSHRCA4KCNA3CA5A | |
| SCHEMBL10410453 | 0.90 | — | — | |
| SCHEMBL935890 | 0.90 | — | — | |
| Phosphine SCHEMBL27864379 | 0.90 | — | — | |
| Ethylene Glycol SCHEMBL4156202 | 0.80 | ALDH1A1 (0.52) | LTA4HTSHRCA4KCNA3CA5A | |
| Phenol SCHEMBL28173920 | 0.80 | CA4 (0.58) | LTA4HTSHRCA4CA5ACA5B |
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 |
|---|---|---|---|---|---|---|---|
| US-4469900-A | PREFERENTIAL COMPLEXING WITH CALCIUM BROMIDE | KOPPERS COMPANY, INC. (US) | 1984-09-04 | — | — | US | disclosed |
| US-4429168-A | PREFERENTIAL COMPLEXING WITH A METAL HALIDE SALT | KOPPERS COMPANY, INC. (US) | 1984-01-31 | — | — | US | disclosed |