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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 9/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4063609 | 0.99 | HDAC1 (0.49) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| Bromide SCHEMBL4543315 | 0.86 | HDAC1 (0.61) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| Bromide SCHEMBL4550495 | 0.86 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL29823139 | 0.85 | HDAC1 (0.62) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL1882612 | 0.85 | HDAC1 (0.62) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL29824000 | 0.85 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL1872787 | 0.85 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| Bromide SCHEMBL4550638 | 0.84 | HDAC1 (0.58) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL29823178 | 0.83 | HDAC1 (0.59) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 | |
| SCHEMBL1882131 | 0.83 | HDAC1 (0.59) | HDAC1HDAC6CXCR4CYP3A4CYP2D6 |
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 |