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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL322184 | 0.98 | CYSLTR1 (0.49) | CYSLTR1CYSLTR2CYP1A2NCF1NOS2 | |
| SCHEMBL27856432 | 0.96 | CYSLTR1 (0.47) | CYSLTR1CYSLTR2CYP1A2NCF1NOS2 | |
| Hydrochloric Acid SCHEMBL27834787 | 0.96 | CYSLTR1 (0.47) | CYSLTR1CYSLTR2CYP1A2NCF1NOS2 | |
| Hydrogen Sulfide SCHEMBL27881046 | 0.96 | CYSLTR1 (0.47) | CYSLTR1CYSLTR2CYP1A2NCF1NOS2 | |
| Quinoline SCHEMBL11076491 | 0.88 | ALDH1A1 (0.55) | CYSLTR1CYSLTR2CYP1A2PDE10AGPBAR1 | |
| SCHEMBL27956726 | 0.85 | PDE10A (0.40) | CYSLTR1CYSLTR2CYP1A2PDE10ALMNA | |
| SCHEMBL6525088 | 0.82 | CYSLTR1 (0.52) | CYSLTR1CYSLTR2CYP1A2NCF1NOS2 | |
| SCHEMBL17227498 | 0.80 | CYSLTR1 (0.50) | CYSLTR1CYSLTR2CYP1A2NCF1NOS2 | |
| SCHEMBL5510083 | 0.79 | CYSLTR1 (0.46) | CYSLTR1CYSLTR2CYP1A2NCF1NOS2 | |
| SCHEMBL4128709 | 0.79 | PDE10A (0.46) | CYSLTR1CYSLTR2CYP1A2PDE10A |
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-107427869-A | Ash processing is with immobilization of heavy metals agent and uses its grey processing method | 栗田工业株式会社 | 2017-12-01 | — | — | CN | disclosed |