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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.33 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CACNA1S | Q13698 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1243891 | 0.97 | L3MBTL1 (0.37) | L3MBTL1CYP2D6CYP1A2CYP2C19TDP1 | |
| Hydrochloric Acid SCHEMBL10009464 | 0.92 | CTSS (0.41) | L3MBTL1CYP2D6CYP1A2CYP2C19TDP1 | |
| Hydrochloric Acid SCHEMBL10008405 | 0.84 | L3MBTL1 (0.38) | L3MBTL1MAPTCYP3A4SLC6A3 | |
| Bromide SCHEMBL11895023 | 0.83 | TRAP1 (0.43) | L3MBTL1CYP2D6CYP1A2CYP2C19TDP1 | |
| Bromide SCHEMBL4183772 | 0.81 | L3MBTL1 (0.50) | L3MBTL1CYP2D6TDP1POLBATM | |
| Water SCHEMBL4390658 | 0.78 | L3MBTL1 (0.50) | L3MBTL1CYP2D6TDP1POLBATM | |
| Hydrochloric Acid SCHEMBL7874554 | 0.78 | L3MBTL1 (0.50) | L3MBTL1CYP2D6TDP1POLBATM | |
| Bromide SCHEMBL28192104 | 0.77 | TYR (0.37) | CYP2D6TDP1MAPTSNCACYP3A4 | |
| Bromide SCHEMBL8904102 | 0.75 | PPARG (0.40) | L3MBTL1CYP1A2CYP2C19MAPTCYP3A4 | |
| Bromide SCHEMBL4178844 | 0.74 | ALDH1A1 (0.43) | L3MBTL1CYP2D6CYP1A2CYP2C19TDP1 |
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 |