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 | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.76 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.60 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.60 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.60 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.60 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.60 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.60 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.60 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 16/20 | 0.79 |
| ▸ | ADCY5 | O95622 | 2/20 | 0.77 |
| ▸ | DRD2 | P14416 | 9/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.76 |
| ▸ | DRD5 | P21918 | 4/20 | 0.76 |
| ▸ | HPGD | P15428 | 3/20 | 0.76 |
| ▸ | MAPT | P10636 | 3/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.76 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL8516949 | 0.98 | ADCY5 (0.79) | DRD1ADCY5DRD2KDM4EDRD5 | |
| Hydrochloric Acid SCHEMBL11104888 | 0.97 | DRD1 (0.79) | DRD1ADCY5DRD2KDM4EDRD5 | |
| SCHEMBL28663486 | 0.90 | ADCY5 (0.70) | DRD1ADCY5DRD2KDM4EDRD5 | |
| Bromide SCHEMBL10746501 | 0.89 | ADCY5 (0.70) | DRD1ADCY5DRD2KDM4EDRD5 | |
| Bromide SCHEMBL11539213 | 0.89 | DRD1 (0.75) | DRD1ADCY5DRD2KDM4EDRD5 | |
| Bromide SCHEMBL11716923 | 0.89 | ADCY5 (0.97) | DRD1ADCY5DRD2KDM4EDRD5 | |
| Skf-38393 SCHEMBL1874365 | 0.88 | DRD1 (1.00) | DRD1ADCY5DRD2KDM4EDRD5 | |
| SCHEMBL10745936 | 0.87 | ADCY5 (0.71) | DRD1ADCY5DRD2KDM4EDRD5 | |
| Skf-38393 SCHEMBL30287850 | 0.87 | DRD1 (0.97) | DRD1ADCY5DRD2KDM4EDRD5 | |
| Skf-38393 SCHEMBL469578 | 0.87 | DRD1 (1.00) | DRD1ADCY5DRD2KDM4EDRD5 |
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 |
|---|---|---|---|---|---|---|---|
| US-4172890-A | CARDIOVASCULAR, PARKINSON'S DISEASE, DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1979-10-30 | — | — | US | disclosed |
| US-4108989-A | TREATING PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS | SMITHKLINE CORPORATION (US) | 1978-08-22 | — | — | US | disclosed |
| US-4011319-A | STIMULATING DOPAMINE RECEPTORS, RENAL VASODILATORS, DIURETICS | SMITHKLINE CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |