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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.80 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.43 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.43 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.43 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.80 |
| ▸ | DRD3 | P35462 | 3/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.80 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.80 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680650 | 0.99 | ADORA3 (0.82) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| SCHEMBL9680656 | 0.99 | ADORA3 (0.82) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| SCHEMBL9681743 | 0.96 | ADORA3 (0.78) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| SCHEMBL9681739 | 0.96 | ADORA3 (0.78) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| Bromide SCHEMBL9681016 | 0.91 | CYP2C9 (0.75) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| Bromide SCHEMBL9679913 | 0.91 | SLC6A2 (0.83) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| SCHEMBL9681710 | 0.90 | CYP2C9 (0.76) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| SCHEMBL9680058 | 0.90 | CYP2C9 (0.76) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| SCHEMBL9680057 | 0.90 | CYP2C9 (0.76) | ADORA3CYP2C9SLC6A2DRD3KCNH2 | |
| SCHEMBL9681706 | 0.90 | CYP2C9 (0.76) | ADORA3CYP2C9SLC6A2DRD3KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162345-A | Dihydropyridinedicarboxylate Derivatives | GLAXO, S.P.A. (IT) | 1992-11-10 | — | — | US | disclosed |