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 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | QPCT | Q16769 | 1/20 | 0.32 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.32 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7827660 | 0.98 | PARP1 (0.35) | PARP1SIGMAR1MC4RPOLBMAPT | |
| SCHEMBL5072999 | 0.86 | ATM (0.36) | SIGMAR1MAPTCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5081250 | 0.78 | HRH1 (0.37) | PARP1SIGMAR1MAPTCYP1A2ALDH1A1 | |
| Bromide SCHEMBL28246683 | 0.77 | HTR1A (0.30) | — | |
| Bromide SCHEMBL3601831 | 0.76 | HDAC3 (0.45) | SIGMAR1MC4RPOLBMAPTCYP1A2 | |
| SCHEMBL27762859 | 0.76 | PARP1 (0.34) | PARP1 | |
| SCHEMBL28048323 | 0.75 | HTR1A (0.31) | ALDH1A1MEN1KMT2A | |
| SCHEMBL1127776 | 0.74 | HDAC3 (0.46) | SIGMAR1MC4RPOLBMAPTCYP1A2 | |
| SCHEMBL30041207 | 0.73 | MC4R (0.36) | MC4RMAPTALDH1A1DRD3KCNH2 | |
| Bromide SCHEMBL30533153 | 0.73 | SIGMAR1 (0.38) | SIGMAR1MC4RCYP3A4KCNH2GSK3A |
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-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | disclosed |
| EP-0971897-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998041507-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | disclosed |