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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.34 |
| ▸ | ADRA2C known ✓ | P18825 | 3/20 | 0.34 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.32 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 5/20 | 0.40 |
| ▸ | NOS1 | P29475 | 5/20 | 0.40 |
| ▸ | NOS2 | P35228 | 5/20 | 0.40 |
| ▸ | PTGIR | P43119 | 2/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.34 |
| ▸ | TOP2A | P11388 | 2/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | CFB | P00751 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11702497 | 1.00 | NOS3 (0.40) | NOS3NOS1NOS2PTGIRCXCR4 | |
| Bromide SCHEMBL11702502 | 1.00 | NOS3 (0.40) | NOS3NOS1NOS2PTGIRCXCR4 | |
| Bromide SCHEMBL11701958 | 1.00 | NOS3 (0.40) | NOS3NOS1NOS2PTGIRCXCR4 | |
| Bromide SCHEMBL11700688 | 1.00 | NOS3 (0.40) | NOS3NOS1NOS2PTGIRCXCR4 | |
| Bromide SCHEMBL11702626 | 1.00 | NOS3 (0.40) | NOS3NOS1NOS2PTGIRCXCR4 | |
| Bromide SCHEMBL11702629 | 1.00 | NOS3 (0.40) | NOS3NOS1NOS2PTGIRCXCR4 | |
| Bromide SCHEMBL11701954 | 1.00 | NOS3 (0.40) | NOS3NOS1NOS2PTGIRCXCR4 | |
| SCHEMBL8781427 | 0.96 | — | — | |
| Iodide SCHEMBL11150641 | 0.94 | NOS3 (0.41) | NOS3NOS1NOS2PTGIRCXCR4 | |
| Hydrochloric Acid SCHEMBL11687689 | 0.94 | NOS3 (0.41) | NOS3NOS1NOS2PTGIRCXCR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE29358-E | ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS | AMERICAN CYANAMID COMPANY (US) | 1977-08-16 | — | — | US | disclosed |