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 | 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 |
| ▸ | HTR1B known ✓ | P28222 | 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 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.72 |
| ▸ | BLM | P54132 | 2/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | DRD1 | P21728 | 8/20 | 0.70 |
| ▸ | MTOR | P42345 | 2/20 | 0.70 |
| ▸ | THPO | P40225 | 2/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
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 SCHEMBL11721722 | 0.90 | KDM4E (0.71) | KDM4EBLMPMP22LMNAMAPT | |
| Bromide SCHEMBL11712496 | 0.88 | KDM4E (0.68) | KDM4EBLMPMP22LMNAMAPT | |
| SCHEMBL11157379 | 0.85 | DRD1 (0.70) | KDM4EBLMPMP22LMNAMAPT | |
| Bromide SCHEMBL11288446 | 0.84 | KDM4E (1.00) | KDM4EBLMPMP22LMNAMAPT | |
| Hydrochloric Acid SCHEMBL11463952 | 0.84 | DRD1 (0.71) | KDM4EBLMPMP22LMNAMAPT | |
| Bromide SCHEMBL11707024 | 0.83 | KDM4E (1.00) | KDM4EBLMPMP22LMNAMAPT | |
| SCHEMBL7390591 | 0.82 | DRD1 (1.00) | KDM4EBLMPMP22LMNAMAPT | |
| Hydrochloric Acid SCHEMBL7203243 | 0.81 | DRD1 (1.00) | KDM4EBLMPMP22LMNAMAPT | |
| SCHEMBL11712694 | 0.81 | DRD1 (1.00) | KDM4EBLMPMP22LMNAMAPT | |
| SCHEMBL11717530 | 0.81 | CYP2D6 (0.71) | KDM4ELMNAMAPTDRD1MTOR |
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-0004794-A2 | Substituted benzazepines, processes for preparing them and pharmaceutical compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1979-10-17 | — | — | EP | disclosed |
| US-4171359-A | DOPAMINERGIC ACTIVITY | SMITHKLINE CORPORATION (US) | 1979-10-16 | — | — | US | disclosed |
| US-4052506-A | BENZAZEPINES | SMITHKLINE CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |