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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 8/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4063733 | 0.99 | CXCR4 (0.63) | CXCR4CYP3A4CYP2D6 | |
| Bromide SCHEMBL5140019 | 0.91 | CXCR4 (0.69) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL4064711 | 0.90 | CXCR4 (0.70) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL4065897 | 0.83 | CXCR4 (0.44) | CXCR4CYP3A4CYP2D6 | |
| Bromide SCHEMBL4541387 | 0.82 | CXCR4 (0.75) | CXCR4CYP3A4CYP2D6 | |
| Bromide SCHEMBL4550505 | 0.82 | CXCR4 (0.75) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL1875171 | 0.81 | CXCR4 (0.76) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL29823490 | 0.81 | CXCR4 (0.76) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL29823322 | 0.81 | CXCR4 (0.76) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL1877199 | 0.81 | CXCR4 (0.76) | CXCR4CYP3A4CYP2D6 |
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 |