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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.56 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.56 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.56 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.56 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 7/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272719 | 0.99 | ADRB2 (0.58) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| Bromide SCHEMBL7272460 | 0.95 | ADRB2 (0.58) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7286608 | 0.94 | ADRB2 (0.49) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7284075 | 0.94 | ADRB2 (0.59) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7285705 | 0.90 | ADRB2 (0.53) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7286199 | 0.90 | ADRB2 (0.53) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7285042 | 0.89 | ADRB2 (0.55) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7444444 | 0.88 | OPRK1 (0.57) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7430715 | 0.88 | OPRK1 (0.57) | ADRB2ADORA3CHRM1ADRA2BADRA2C | |
| SCHEMBL7287380 | 0.88 | OPRK1 (0.57) | 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 |