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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 17/20 | 0.82 |
| ▸ | ADRA1B known ✓ | P35368 | 17/20 | 0.82 |
| ▸ | ADRA1D known ✓ | P25100 | 14/20 | 0.82 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.53 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7832378 | 0.90 | ADRA1A (1.00) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7833241 | 0.89 | ADRA1A (0.98) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL7821670 | 0.82 | ADRA1A (1.00) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL29468652 | 0.81 | ADRA1A (1.00) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL7822496 | 0.81 | ADRA1A (1.00) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Bromide SCHEMBL7821999 | 0.80 | ADRA1A (0.67) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7836436 | 0.80 | ADRA1A (0.77) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7834842 | 0.80 | HTR7 (0.64) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7833998 | 0.79 | ADRA1A (0.81) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7832255 | 0.79 | ADRA1A (0.98) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0748800-B1 | Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2001-05-09 | — | — | EP | disclosed |
| EP-0748800-A2 | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1996-12-18 | — | — | EP | disclosed |