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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 5/20 | 0.61 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.61 |
| ▸ | LTA4H | P09960 | 4/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7404898 | 0.99 | SIGMAR1 (0.62) | SIGMAR1TMEM97LTA4HHRH3PTGS2 | |
| Bromide SCHEMBL7400108 | 0.88 | SIGMAR1 (0.61) | SIGMAR1TMEM97LTA4HHRH3HTR1A | |
| Bromide SCHEMBL7410089 | 0.88 | TMEM97 (0.80) | SIGMAR1TMEM97LTA4HHRH3ALDH1A1 | |
| SCHEMBL7397849 | 0.86 | SIGMAR1 (0.62) | SIGMAR1TMEM97LTA4HHRH3PTGS2 | |
| SCHEMBL7406116 | 0.86 | SIGMAR1 (0.62) | SIGMAR1TMEM97LTA4HHRH3HTR1A | |
| SCHEMBL7406504 | 0.86 | SIGMAR1 (0.62) | SIGMAR1TMEM97LTA4HHRH3HTR1A | |
| SCHEMBL7401100 | 0.86 | TMEM97 (0.62) | SIGMAR1TMEM97LTA4HHRH3PTGS2 | |
| SCHEMBL7405461 | 0.86 | TMEM97 (0.62) | SIGMAR1TMEM97LTA4HHRH3PTGS2 | |
| SCHEMBL7406605 | 0.86 | SIGMAR1 (0.82) | SIGMAR1TMEM97LTA4HHRH3ALDH1A1 | |
| SCHEMBL7409069 | 0.86 | SIGMAR1 (0.82) | SIGMAR1TMEM97LTA4HHRH3ALDH1A1 |
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-6124323-A | ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS | WARNER-LAMBERT COMPANY (US) | 2000-09-26 | — | — | US | disclosed |