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 | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 2/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 SCHEMBL30721146 | 0.86 | SNCA (0.51) | SNCAALDH1A1CYP3A4HIF1AHTT | |
| Bromide SCHEMBL8015170 | 0.86 | SNCA (0.51) | SNCAALDH1A1CYP3A4HIF1AHTT | |
| Bromide SCHEMBL7728204 | 0.82 | SNCA (0.63) | SNCAALDH1A1CYP3A4ACP3HIF1A | |
| Hydrochloric Acid SCHEMBL8379945 | 0.79 | CYP11B1 (0.51) | SNCACYP17A1CYP11B1CYP11B2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8146357 | 0.79 | SNCA (0.60) | SNCAALDH1A1CYP3A4ACP3HIF1A | |
| Bromide SCHEMBL39844 | 0.78 | SNCA (0.73) | SNCAALDH1A1CYP3A4HIF1ATAAR1 | |
| Bromide SCHEMBL1503289 | 0.77 | SNCA (0.61) | SNCAALDH1A1CYP3A4HIF1ARAB9A | |
| SCHEMBL14220012 | 0.75 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2GPR68SMN1; SMN2 | |
| Bromide SCHEMBL25411424 | 0.75 | SNCA (0.47) | SNCAHIF1AKMT2AAPP | |
| Bromide SCHEMBL1508663 | 0.75 | SNCA (0.47) | SNCACYP3A4HIF1ANPC1RAB9A |
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-0682031-B1 | Silacyclohexane-based carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHINETSU CHEMICAL CO (JP) | 2000-03-22 | — | — | EP | disclosed |
| US-5527490-A | Silacyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0682031-A1 | Silacyclohexane carbaldehyde compounds and processes for preparing silycyclohexane-based liquid crystal compounds from the carbaldehyde compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-11-15 | — | — | EP | disclosed |