Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 18/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7365454 | 0.97 | PDE4A (0.60) | PDE4APDE4DPDE4BPDE4C | |
| Bromide SCHEMBL4260842 | 0.84 | LDHA (0.53) | — | |
| Bromide SCHEMBL29880790 | 0.84 | LDHA (0.53) | — | |
| SCHEMBL30596298 | 0.82 | LDHA (0.54) | — | |
| Hydrochloric Acid SCHEMBL10424163 | 0.81 | LDHA (0.53) | — | |
| SCHEMBL7341287 | 0.79 | PDE4A (0.62) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8769667 | 0.78 | PDE4A (0.64) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL3976102 | 0.77 | PDE4B (0.57) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL9266969 | 0.76 | PDE4A (0.56) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL5309679 | 0.76 | PDE4B (0.56) | PDE4APDE4DPDE4BPDE4C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5563143-A | ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISORDERS | PFIZER INC. (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0706795-A2 | Catechol diether compounds as inhibitors of TNF release | PFIZER INC. (US) | 1996-04-17 | — | — | EP | disclosed |
| EP-0672031-A1 | CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS | PFIZER INC. (US) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994012461-A1 | CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS | PFIZER INC. (US) | 1994-06-09 | — | — | WO | disclosed |