Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 4/20 | 0.40 |
| ▸ | NOS2 | P35228 | 4/20 | 0.40 |
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19723895 | 0.98 | BACE1 (0.51) | BACE1CYP11B2NOS3NOS2NOS1 | |
| SCHEMBL24692545 | 0.98 | BACE1 (0.51) | BACE1CYP11B2NOS3NOS2NOS1 | |
| SCHEMBL30279702 | 0.98 | BACE1 (0.51) | BACE1CYP11B2NOS3NOS2NOS1 | |
| SCHEMBL22272915 | 0.96 | BACE1 (0.49) | BACE1CYP11B2NOS3NOS2NOS1 | |
| SCHEMBL3178410 | 0.88 | NOS3 (0.45) | BACE1NOS3NOS2NOS1KDM4E | |
| SCHEMBL29940481 | 0.88 | NOS3 (0.45) | BACE1NOS3NOS2NOS1KDM4E | |
| SCHEMBL30502919 | 0.80 | DHFR (0.40) | BACE1NOS3NOS2NOS1KDM4E | |
| SCHEMBL15535152 | 0.80 | MKNK1 (0.55) | TLR9TLR8TLR7MKNK1MKNK2 | |
| SCHEMBL14859120 | 0.80 | ESR2 (0.44) | BACE1NOS3NOS2NOS1KDM4E | |
| SCHEMBL30480288 | 0.77 | MKNK1 (0.49) | TLR9TLR8TLR7MKNK1MKNK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105601502-A | Method for preparing acyl chloride by catalyzing phosgene and acid | TIANJIN JINGYE FINE CHEMICALS CO LTD | 2016-05-25 | — | — | CN | disclosed |