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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.50 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.50 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | PRCP | P42785 | 1/20 | 0.50 |
| ▸ | EBP | Q15125 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | DRD5 | P21918 | 2/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11116728 | 0.90 | DRD3 (0.56) | DRD3DRD4DRD2SIGMAR1NFKB1 | |
| Bromide SCHEMBL11117059 | 0.87 | SIGMAR1 (0.55) | DRD3DRD4DRD2SIGMAR1NFKB1 | |
| Hydrochloric Acid SCHEMBL11119718 | 0.83 | DRD2 (0.54) | DRD3DRD4DRD2DRD1DRD5 | |
| Hydrochloric Acid SCHEMBL11117900 | 0.79 | ACHE (0.42) | DRD3DRD4DRD2DRD1DRD5 | |
| Bromide SCHEMBL11118743 | 0.75 | DRD4 (0.56) | DRD3DRD4DRD2SIGMAR1NFKB1 | |
| Bromide SCHEMBL11115019 | 0.74 | DRD2 (0.55) | DRD3DRD4DRD2SIGMAR1NFKB1 | |
| Hydrochloric Acid SCHEMBL11117180 | 0.74 | DRD2 (0.58) | DRD3DRD2HTR1APDE2A | |
| SCHEMBL11212088 | 0.73 | DRD2 (0.56) | DRD3DRD4DRD2SIGMAR1NFKB1 | |
| SCHEMBL17294786 | 0.71 | DRD2 (0.73) | DRD3DRD4DRD2SIGMAR1NFKB1 | |
| Bromide SCHEMBL11116377 | 0.71 | DRD3 (0.53) | DRD3DRD4DRD2SIGMAR1NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4460594-A | CENTRAL NERVOUS SYSTEM DISORDERS | BEECHAM GROUP P.L.C. (GB) | 1984-07-17 | — | — | US | disclosed |
| EP-0077607-A1 | N-substituted 3-aryl piperidines and derivatives thereof | BEECHAM GROUP PLC (GB) | 1983-04-27 | — | — | EP | disclosed |