Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | 10/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.50 |
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 SCHEMBL8684175 | 0.98 | PDE4A (0.51) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8483493 | 0.81 | PDE4A (0.65) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8204723 | 0.78 | PDE4A (0.60) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL7696540 | 0.77 | PDE4A (0.72) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8478447 | 0.77 | PDE4A (0.59) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL5823060 | 0.75 | PDE4A (0.77) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8209553 | 0.75 | PDE4A (0.56) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL6888162 | 0.75 | PDE4A (0.57) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8482950 | 0.74 | PDE4A (0.62) | PDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8793521 | 0.74 | PDE4A (0.60) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962492-A | ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-10-05 | — | — | US | disclosed |
| US-5723460-A | Cyclo (alkyl and alkenyl) phenyl-alkenylyl heteroaryl compounds and pharmaceutical compositions containing same | CELLTECH THERAPEUTICS LIMITED (GB) | 1998-03-03 | — | — | US | disclosed |
| EP-0640070-B1 | STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS | CELLTECH THERAPEUTICS LTD (GB) | 1997-09-10 | — | — | EP | disclosed |
| US-5633257-A | PHOSPHODIESTERASE INHIBITOR | CELLTECH THERAPEUTICS LIMITED (GB) | 1997-05-27 | — | — | US | disclosed |
| EP-0640070-A1 | STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS. | CELLTECH THERAPEUTICS LTD (GB) | 1995-03-01 | — | — | EP | disclosed |
| WO-1994020455-A1 | STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |