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 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL18770826 | 0.97 | CXCR4 (0.37) | CXCR4SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL18770834 | 0.97 | CXCR4 (0.37) | CXCR4SMN1; SMN2ALDH1A1 | |
| SCHEMBL18770798 | 0.94 | CXCR4 (0.39) | CXCR4SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL10885562 | 0.88 | CXCR4 (0.32) | CXCR4SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL18770824 | 0.88 | CXCR4 (0.32) | CXCR4SMN1; SMN2ALDH1A1 | |
| SCHEMBL18770812 | 0.85 | CXCR4 (0.33) | CXCR4SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL1567698 | 0.85 | HIF1A (0.36) | — | |
| SCHEMBL4905025 | 0.82 | CXCR4 (0.35) | CXCR4SMN1; SMN2ALDH1A1 | |
| SCHEMBL12604569 | 0.82 | HIF1A (0.39) | CXCR4SMN1; SMN2ALDH1A1 | |
| SCHEMBL4977472 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017069661-A1 | PYRIMIDYL-DI(DIAZASPIRO-ALKANES) WITH ANTIVIRAL ACTIVITY | Limited Liability Company “Nearmedic Plus” (RU) | 2017-04-27 | — | — | WO | disclosed |