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 | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.62 |
| ▸ | CXCR4 | P61073 | 8/20 | 0.52 |
| ▸ | FABP1 | P07148 | 1/20 | 0.48 |
| ▸ | FABP6 | P51161 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066161 | 0.99 | HDAC1 (0.63) | HDAC1HDAC6CXCR4FABP1FABP6 | |
| SCHEMBL13909820 | 0.88 | HDAC1 (0.76) | HDAC1HDAC6CXCR4KDM4ECYP3A4 | |
| SCHEMBL4562865 | 0.85 | HDAC1 (0.69) | HDAC1HDAC6CXCR4KDM4ECYP3A4 | |
| SCHEMBL4887341 | 0.85 | HDAC1 (0.69) | HDAC1HDAC6CXCR4KDM4ECYP3A4 | |
| Bromide SCHEMBL4543315 | 0.83 | HDAC1 (0.61) | HDAC1HDAC6CXCR4KDM4ECYP3A4 | |
| SCHEMBL4062508 | 0.83 | HDAC1 (0.76) | HDAC1HDAC6CXCR4KDM4ENPC1 | |
| SCHEMBL4065807 | 0.82 | HDAC1 (0.68) | HDAC1HDAC6CXCR4KDM4ECYP3A4 | |
| SCHEMBL21055028 | 0.82 | HDAC1 (0.68) | HDAC1HDAC6CXCR4KDM4ECYP3A4 | |
| SCHEMBL29823139 | 0.82 | HDAC1 (0.62) | HDAC1HDAC6CXCR4KDM4ECYP3A4 | |
| SCHEMBL1882612 | 0.82 | HDAC1 (0.62) | HDAC1HDAC6CXCR4KDM4ECYP3A4 |
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 |