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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.58 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.58 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.58 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.58 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.58 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.58 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.58 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 10/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | HRH1 | P35367 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7283782 | 0.99 | ADRB2 (0.59) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Bromide SCHEMBL10538091 | 0.87 | ADRB2 (0.62) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7274514 | 0.86 | ADRB2 (0.64) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Bromide SCHEMBL7274212 | 0.84 | ADRB2 (0.58) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Bromide SCHEMBL7280385 | 0.84 | ADRB2 (0.58) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Bromide SCHEMBL7281730 | 0.84 | ADRB2 (0.58) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Bromide SCHEMBL7272460 | 0.84 | ADRB2 (0.58) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Bromide SCHEMBL7279786 | 0.83 | ADRB2 (0.57) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7284075 | 0.82 | ADRB2 (0.59) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7282804 | 0.82 | ADRB2 (0.59) | ADRB2ADORA3CHRM1ADRA2BADRA2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4885313-A | 3,4-Dihydroxyphenylethylamine derivatives and their use | FISONS PLC (GB) | 1989-12-05 | — | — | US | disclosed |
| US-4803225-A | Dihydroxy-phenethylamino compounds useful as pharmaceuticals | FISONS, PLC (GB) | 1989-02-07 | — | — | US | disclosed |
| US-4720586-A | Substituted 3,4-dihydroxy-phenylethylamino compounds | FISONS, PLC (GB) | 1988-01-19 | — | — | US | disclosed |
| EP-0142283-A2 | Phenylethylamines, process for their preparation and compositions containing them | FISONS plc (GB) | 1985-05-22 | — | — | EP | disclosed |