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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 1/20 | 0.48 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 SCHEMBL8551319 | 0.89 | POLB (0.44) | CXCR1CXCR2POLBPDE7AKCNH2 | |
| Hydrochloric Acid SCHEMBL8549386 | 0.84 | POLB (0.48) | CXCR1CXCR2POLBPDE7AMAPT | |
| Hydrochloric Acid SCHEMBL8593690 | 0.81 | CXCR1 (0.44) | CXCR1CXCR2POLBPDE7AMAPT | |
| SCHEMBL8551545 | 0.81 | ENPP2 (0.42) | CXCR1CXCR2MAPT | |
| Bromide SCHEMBL8625196 | 0.73 | HCRTR1 (0.40) | POLBKCNH2MAPT | |
| Bromide SCHEMBL8553025 | 0.72 | MAPT (0.49) | POLBMAPT | |
| Hydrochloric Acid SCHEMBL8592836 | 0.70 | POLB (0.44) | CXCR1CXCR2POLBMAPT | |
| Hydrochloric Acid SCHEMBL8548741 | 0.70 | POLB (0.41) | POLBMAPT | |
| Bromide SCHEMBL8554224 | 0.69 | MAPT (0.50) | POLBMAPT | |
| Bromide SCHEMBL8553387 | 0.69 | POLB (0.50) | POLBMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858457-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015567-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-05-01 | — | — | WO | disclosed |