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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.41 |
| ▸ | PPARG | P37231 | 5/20 | 0.40 |
| ▸ | PTGES | O14684 | 4/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.40 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7648311 | 0.80 | PPARG (0.41) | CYSLTR2CYSLTR1PPARGLMNACYP1A2 | |
| SCHEMBL9377031 | 0.78 | MAOB (0.40) | CYSLTR2CYSLTR1PPARGLMNACYP1A2 | |
| Bromide SCHEMBL9376829 | 0.77 | PPARG (0.60) | CYSLTR2CYSLTR1PPARGALOX5LMNA | |
| Bromide SCHEMBL9634331 | 0.74 | GRM2 (0.62) | CYSLTR2CYSLTR1PPARGALOX5LMNA | |
| SCHEMBL11020870 | 0.73 | POLB (0.46) | CYSLTR2CYSLTR1PPARGLMNACYP1A2 | |
| Bromide SCHEMBL9378592 | 0.73 | CYSLTR2 (0.61) | CYSLTR2CYSLTR1PPARGALOX5LMNA | |
| SCHEMBL11022202 | 0.73 | POLB (0.46) | CYSLTR2CYSLTR1PPARGLMNACYP1A2 | |
| Acetic Acid SCHEMBL29509803 | 0.70 | TRAP1 (0.48) | PPARGPTGESALOX5TRAP1CHRNA7 | |
| Bromide SCHEMBL9376393 | 0.70 | PPARG (0.46) | CYSLTR2CYSLTR1PPARGLMNACYP1A2 | |
| SCHEMBL28743467 | 0.68 | PPARG (0.41) | CYSLTR2CYSLTR1PPARGLMNAPPARA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0335315-B1 | New alkanephenones | CIBA GEIGY AG (CH) | 1994-06-22 | — | — | EP | disclosed |
| US-5149717-A | Alkanophenones useful for treating allergies | CIBA-GEIGY CORPORATION (US) | 1992-09-22 | — | — | US | disclosed |
| EP-0335315-A1 | New alkanephenones | CIBA-GEIGY AG (CH) | 1989-10-04 | — | — | EP | disclosed |