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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | BLM | P54132 | 4/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GMNN | O75496 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 SCHEMBL11156560 | 0.84 | MEN1 (0.42) | DRD1DRD5KDM4EBLMPMP22 | |
| Bromide SCHEMBL11159081 | 0.82 | KDM4E (0.48) | CYP2D6DRD1KDM4EBLMPMP22 | |
| Bromide SCHEMBL11156979 | 0.82 | NPC1 (0.41) | SIGMAR1 | |
| Bromide SCHEMBL11159318 | 0.82 | DRD1 (0.47) | DRD1DRD5KDM4EBLMPMP22 | |
| SCHEMBL10471907 | 0.80 | DRD1 (0.44) | DRD1DRD5KDM4EBLMPMP22 | |
| SCHEMBL11215748 | 0.77 | CYP2D6 (0.41) | HRH3CYP2D6HRH1DRD1DRD5 | |
| Bromide SCHEMBL11156982 | 0.76 | DRD1 (0.36) | DRD1KDM4EBLMPMP22DRD2 | |
| Bromide SCHEMBL11165457 | 0.73 | KDM4E (0.34) | DRD1DRD5KDM4EBLMPMP22 | |
| Bromide SCHEMBL11179904 | 0.73 | ADCY6 (0.42) | CYP2D6DRD1DRD5KDM4EBLM | |
| SCHEMBL11215258 | 0.70 | DRD2 (0.42) | DRD1DRD5DRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0080012-A1 | 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate | SMITHKLINE BECKMAN CORPORATION (US) | 1983-06-01 | — | — | EP | disclosed |
| US-4265890-A | ANTIPSYCHOTIC, ANTIEMETICS | SMITHKLINE CORPORATION (US) | 1981-05-05 | — | — | US | disclosed |
| EP-0007070-A1 | 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity | SMITHKLINE BECKMAN CORPORATION (US) | 1980-01-23 | — | — | EP | disclosed |