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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.73 |
| ▸ | DRD3 | P35462 | 11/20 | 0.98 |
| ▸ | DRD2 | P14416 | 10/20 | 0.98 |
| ▸ | DRD4 | P21917 | 7/20 | 0.65 |
| ▸ | DRD1 | P21728 | 5/20 | 0.65 |
| ▸ | DRD5 | P21918 | 5/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | PRCP | P42785 | 1/20 | 0.64 |
| ▸ | EBP | Q15125 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5699015 | 1.00 | DRD3 (0.98) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| SCHEMBL873078 | 0.99 | DRD3 (1.00) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| SCHEMBL873812 | 0.99 | DRD3 (1.00) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| SCHEMBL873549 | 0.99 | DRD3 (1.00) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| SCHEMBL29369425 | 0.99 | DRD3 (1.00) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| Hydrochloric Acid SCHEMBL5678691 | 0.98 | DRD3 (0.98) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| Hydrochloric Acid SCHEMBL5678697 | 0.98 | DRD3 (0.98) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| Hydrochloric Acid SCHEMBL29634866 | 0.98 | DRD3 (0.98) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| SCHEMBL6880380 | 0.91 | DRD3 (0.84) | DRD3DRD2SIGMAR1DRD4DRD1 | |
| SCHEMBL6881711 | 0.91 | DRD3 (0.84) | DRD3DRD2SIGMAR1DRD4DRD1 |
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-1274430-A2 | COMPOUNDS FOR TREATING FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME | PHARMACIA & UPJOHN COMPANY (US) | 2003-01-15 | — | — | EP | claimed |
| WO-2001081343-A2 | COMPOUNDS FOR TREATING FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME | PHARMACIA & UPJOHN COMPANY (US) | 2001-11-01 | — | — | WO | claimed |