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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | FDFT1 | P37268 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9804327 | 0.92 | FDFT1 (0.42) | HIF1ATTRFDFT1 | |
| Bromide SCHEMBL6929230 | 0.86 | SNCA (0.43) | TTRHRH1 | |
| Hydrochloric Acid SCHEMBL9539628 | 0.83 | SNCA (0.41) | TTRHRH1 | |
| Bromide SCHEMBL6909366 | 0.81 | HIF1A (0.47) | HIF1A | |
| SCHEMBL14406381 | 0.78 | TTR (0.45) | TTRHRH1 | |
| SCHEMBL4342229 | 0.78 | TTR (0.42) | TTRHRH1POLB | |
| SCHEMBL9682176 | 0.78 | TTR (0.49) | TTRHRH1POLB | |
| Bromide SCHEMBL10692126 | 0.78 | FDFT1 (0.48) | HIF1AFDFT1 | |
| SCHEMBL11166948 | 0.78 | LPAR1 (0.42) | TTRHRH1 | |
| SCHEMBL9681679 | 0.78 | TDP1 (0.42) | TTRHRH1POLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37087-E1 | 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |
| EP-0233834-B1 | INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-04-22 | — | — | EP | disclosed |
| US-5091416-A | INSECTICIDAL COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-25 | — | — | US | disclosed |
| EP-0361695-A2 | Insecticidal compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-04-04 | — | — | EP | disclosed |
| US-4791123-A | MITICIDES | SCHERING AKT. (DE) | 1988-12-13 | — | — | US | disclosed |
| US-4743622-A | FLUORO COMPOUNDS | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-05-10 | — | — | US | disclosed |
| EP-0233834-A1 | Insecticidal trifluormethyl alkane derivatives | SCHERING AKTIENGESELLSCHAFT (DE) | 1987-08-26 | — | — | EP | disclosed |
| EP-0191723-A1 | Aromatic alkane derivatives, pesticides containing these compounds and processes for their production | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-08-20 | — | — | EP | disclosed |