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 | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 8/20 | 0.54 |
| ▸ | CYP4Z1 | Q86W10 | 6/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25849028 | 0.95 | SLC9A1 (0.57) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| SCHEMBL21311179 | 0.95 | SLC9A1 (0.57) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| Bromide SCHEMBL28257701 | 0.93 | SLC9A1 (0.52) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| SCHEMBL24192397 | 0.87 | SLC9A1 (0.52) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| SCHEMBL22651915 | 0.84 | SLC9A1 (0.55) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| SCHEMBL27714321 | 0.82 | SLC9A1 (0.56) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| Bromide SCHEMBL28259278 | 0.82 | SLC9A1 (0.49) | SLC9A1CYP4Z1KEAP1HCAR3POLB | |
| SCHEMBL31066856 | 0.81 | SLC9A1 (0.55) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| SCHEMBL25613143 | 0.81 | SLC9A1 (0.55) | SLC9A1CYP4Z1ASAH1KEAP1MGAM | |
| SCHEMBL1652528 | 0.81 | SLC9A1 (0.53) | SLC9A1CYP4Z1ASAH1KEAP1MGAM |
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-109096216-A | Benzotriazole functionalization corrosion resistant ionic liquid and its preparation method and application | 中国科学院兰州化学物理研究所 | 2018-12-28 | — | — | CN | disclosed |