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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.60 |
| ▸ | CXCR4 | P61073 | 20/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4061443 | 0.99 | CXCR4 (0.79) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| Bromide SCHEMBL5140576 | 0.94 | CXCR4 (0.85) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4061162 | 0.93 | CXCR4 (0.86) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| Bromide SCHEMBL4544117 | 0.89 | CXCR4 (0.98) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4069667 | 0.88 | CXCR4 (0.88) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL14129578 | 0.88 | CXCR4 (0.88) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL29823518 | 0.88 | CXCR4 (1.00) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL1878773 | 0.88 | CXCR4 (1.00) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL5054557 | 0.87 | CXCR4 (0.80) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL30096691 | 0.87 | CXCR4 (0.80) | CXCR4CHRM2CYP2D6DRD2OPRM1 |
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-7396840-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |