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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ENPEP | Q07075 | 4/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL329794 | 0.97 | — | — | |
| Fluoride SCHEMBL14840306 | 0.94 | PTGS1 (0.39) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL27504401 | 0.94 | PTGS1 (0.39) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| Iodide SCHEMBL27949561 | 0.94 | PTGS1 (0.39) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL18008481 | 0.94 | PTGS1 (0.39) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| Hydrochloric Acid SCHEMBL28099471 | 0.94 | PTGS1 (0.39) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL27865464 | 0.94 | PTGS1 (0.39) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| Dimethylamine SCHEMBL18008461 | 0.90 | LMNA (0.36) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL329052 | 0.81 | APP (0.46) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL5637565 | 0.79 | APP (0.44) | PTGS1PDE4ALMNASLC6A6CYP2C19 |
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-103833723-B | The manufacture method of cyclic sulfonic acid ester and intermediate thereof | 和光纯药工业株式会社 | 2016-08-17 | — | — | CN | disclosed |