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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 5/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5763676 | 0.98 | NOS1 (0.40) | NOS1NOS3NOS2LTA4HSLC1A2 | |
| SCHEMBL17449764 | 0.98 | NOS1 (0.40) | NOS1NOS3NOS2LTA4HSLC1A2 | |
| SCHEMBL67350 | 0.98 | NOS1 (0.40) | NOS1NOS3NOS2LTA4HSLC1A2 | |
| SCHEMBL67349 | 0.98 | NOS1 (0.40) | NOS1NOS3NOS2LTA4HSLC1A2 | |
| Hydrochloric Acid SCHEMBL311215 | 0.96 | NOS1 (0.39) | NOS1NOS3NOS2LTA4HSLC1A2 | |
| Hydrochloric Acid SCHEMBL952472 | 0.96 | NOS1 (0.39) | NOS1NOS3NOS2LTA4HSLC1A2 | |
| SCHEMBL3294154 | 0.87 | NOS1 (0.42) | NOS1NOS3NOS2LTA4HSLC1A2 | |
| Bromide SCHEMBL20496966 | 0.87 | GRIK1 (0.46) | SLC1A2SLC1A1GRIK1GRIK2SLC1A3 | |
| SCHEMBL5967210 | 0.86 | SLC1A2 (0.46) | NOS1NOS3NOS2SLC1A2SLC1A1 | |
| SCHEMBL7266730 | 0.86 | SLC1A2 (0.46) | NOS1NOS3NOS2SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0776886-A1 | AMINO ACID DERIVATIVE HAVING NITROGEN MONOXIDE SYNTHETASE INHIBITOR ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-06-04 | — | — | EP | disclosed |