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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL12133209 | 0.75 | — | — | |
| SCHEMBL7782026 | 0.70 | — | — | |
| SCHEMBL6750082 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8046759 | 0.67 | — | — | |
| SCHEMBL2814353 | 0.64 | HSP90AA1 (0.52) | — | |
| SCHEMBL30595872 | 0.64 | HSP90AA1 (0.52) | — | |
| SCHEMBL26376426 | 0.61 | — | — | |
| SCHEMBL13910999 | 0.61 | HSP90AA1 (0.50) | — | |
| SCHEMBL14080001 | 0.61 | — | — | |
| SCHEMBL8400154 | 0.61 | KDM4E (0.37) | — |
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-5834469-A | HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-10 | — | — | US | disclosed |
| EP-0766684-A4 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0766684-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-04-09 | — | — | EP | disclosed |
| WO-1995033752-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-12-14 | — | — | WO | disclosed |