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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.64 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.64 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.64 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.51 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.47 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 SCHEMBL9792055 | 1.00 | ADRA1A (0.64) | ADRA1AADRA1DADRA1BGRIN2BSIGMAR1 | |
| SCHEMBL7270896 | 0.99 | ADRA1A (0.65) | ADRA1AADRA1DADRA1BGRIN2BSIGMAR1 | |
| SCHEMBL7270986 | 0.99 | ADRA1A (0.65) | ADRA1AADRA1DADRA1BGRIN2BSIGMAR1 | |
| Bromide SCHEMBL7272021 | 0.99 | ADRA1A (0.62) | ADRA1AADRA1DADRA1BGRIN2BSIGMAR1 | |
| SCHEMBL7281491 | 0.98 | ADRA1A (0.63) | ADRA1AADRA1DADRA1BGRIN2BSIGMAR1 | |
| Bromide SCHEMBL7272342 | 0.88 | ADRA1A (0.58) | ADRA1AADRA1DADRA1BGRIN2BDRD3 | |
| Bromide SCHEMBL7277713 | 0.88 | ADRA1A (0.58) | ADRA1AADRA1DADRA1BGRIN2BDRD3 | |
| Bromide SCHEMBL7281378 | 0.88 | DRD2 (0.59) | ADRA1AADRA1DADRA1BGRIN2BSIGMAR1 | |
| SCHEMBL7281396 | 0.87 | ADRA1A (0.59) | ADRA1AADRA1DADRA1BGRIN2BDRD3 | |
| SCHEMBL7278426 | 0.87 | ADRA1A (0.59) | ADRA1AADRA1DADRA1BGRIN2BDRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5013760-A | Phenylethylamine derivatives and pharmaceutical use | FISONS PLC (GB) | 1991-05-07 | — | — | US | disclosed |
| EP-0072061-A1 | Amine derivatives, processes for their production and pharmaceutical compositions containing them | FISONS plc (GB) | 1983-02-16 | — | — | EP | disclosed |