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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.40 |
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 SCHEMBL15918268 | 0.98 | HIF1A (0.56) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL16197577 | 0.98 | HIF1A (0.56) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL35210203 | 0.98 | HIF1A (0.56) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL9817056 | 0.98 | HIF1A (0.56) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL18641785 | 0.98 | HIF1A (0.56) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL2743878 | 0.98 | HIF1A (0.56) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL35210196 | 0.96 | HIF1A (0.58) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL28894091 | 0.96 | HIF1A (0.58) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Iodide SCHEMBL598123 | 0.96 | HIF1A (0.58) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Iodide SCHEMBL16935789 | 0.94 | HIF1A (0.56) | HIF1AALDH1A1CYP1A2CYP2D6TSHR |
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-0255098-B1 | Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties | SYNTEX (U.S.A.) INC. (US) | 1991-05-29 | — | — | EP | disclosed |
| EP-0111997-B1 | VINYL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1991-04-10 | — | — | EP | disclosed |
| EP-0196617-B1 | [4.2.0]bicyclooctane derivatives, process for their preparation and pharmaceutical compositions containing same | SYNTEX (U.S.A.) INC. (US) | 1989-05-31 | — | — | EP | disclosed |
| US-4735966-A | ANTICOAGULANTS, VASODILATORS, HYPOTENSIVE AND ANTICHOLESTEROL AGENTS | SYNTEX (U.S.A.) INC. (US) | 1988-04-05 | — | — | US | disclosed |
| EP-0257609-A2 | Novel substituted (4.2.0)Bicyclooctane derivatives with valuable therapeutic properties | SYNTEX (U.S.A.) INC. (US) | 1988-03-02 | — | — | EP | disclosed |
| EP-0255098-A1 | Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties | SYNTEX (U.S.A.) INC. (US) | 1988-02-03 | — | — | EP | disclosed |
| US-4678805-A | Novel 8-(lower alkyl)bicyclo[4.2.0]octane derivatives with valuable therapeutic properties | SYNTEX (U.S.A.) INC. (US) | 1987-07-07 | — | — | US | disclosed |
| EP-0196617-A1 | [4.2.0]bicyclooctane derivatives, process for their preparation and pharmaceutical compositions containing same | SYNTEX (U.S.A.) INC. (US) | 1986-10-08 | — | — | EP | disclosed |
| US-4518602-A | Vinyl carboxylic acid derivatives, their production and use as inhibitors of thromboxane synthetase | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-05-21 | — | — | US | disclosed |
| EP-0111997-A2 | Vinyl carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1984-06-27 | — | — | EP | disclosed |