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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.46 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.44 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.51 |
| ▸ | DRD3 | P35462 | 3/20 | 0.51 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7271830 | 0.98 | DRD2 (0.52) | DRD2DRD3DRD4MAPTKDM4E | |
| SCHEMBL9295705 | 0.88 | DRD2 (0.59) | DRD2DRD3DRD4MAPTNFKB1 | |
| Hydrochloric Acid SCHEMBL7399996 | 0.86 | DRD2 (0.58) | DRD2DRD3DRD4GRIN2BNFKB1 | |
| Hydrochloric Acid SCHEMBL7399997 | 0.86 | DRD2 (0.58) | DRD2DRD3DRD4GRIN2BNFKB1 | |
| Bromide SCHEMBL7281334 | 0.84 | ADRA1A (0.53) | DRD2DRD3DRD4GRIN2BSIGMAR1 | |
| Bromide SCHEMBL7271985 | 0.84 | GRIN2B (0.59) | DRD3GRIN2BSIGMAR1FYN | |
| SCHEMBL8462877 | 0.84 | DRD2 (0.71) | DRD2DRD3DRD4NFKB1THPO | |
| Hydrochloric Acid SCHEMBL7356162 | 0.83 | DRD2 (0.69) | DRD2DRD3DRD4HTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL7356167 | 0.83 | DRD2 (0.69) | DRD2DRD3DRD4HTR1DHTR1B | |
| SCHEMBL7279623 | 0.82 | ADRA1A (0.54) | DRD2DRD3DRD4GRIN2BSIGMAR1 |
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-5013760-A | Phenylethylamine derivatives and pharmaceutical use | FISONS PLC (GB) | 1991-05-07 | — | — | US | disclosed |
| EP-0072061-A1 | Amine derivatives, processes for their production and pharmaceutical compositions containing them | FISONS plc (GB) | 1983-02-16 | — | — | EP | disclosed |