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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1774634 | 0.93 | — | — | |
| SCHEMBL331741 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL331622 | 0.90 | — | — | |
| SCHEMBL168531 | 0.86 | — | — | |
| Cyanide SCHEMBL28289304 | 0.84 | — | — | |
| SCHEMBL1485899 | 0.83 | ALDH1A1 (0.53) | — | |
| SCHEMBL13166298 | 0.83 | ALDH1A1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL561323 | 0.83 | — | — | |
| SCHEMBL8918 | 0.83 | — | — | |
| SCHEMBL1148684 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966162-B1 | PYRIMIDINE DERIVATIVES | ZIARCO PHARMA LTD (GB) | 2017-03-15 | — | — | EP | disclosed |
| US-7943628-B2 | Pyrimidine derivatives | PFIZER LIMITED (GB) | 2011-05-17 | — | — | US | disclosed |
| EP-1966162-A2 | PYRIMIDINE DERIVATIVES | Pfizer Limited (GB) | 2008-09-10 | — | — | EP | disclosed |
| US-20070185075-A1 | Pyrimidine derivatives | PFIZER LIMITED | 2007-08-09 | — | — | US | disclosed |
| WO-2007072163-A2 | PYRIMIDINE DERIVATIVES | PFIZER LIMITED (GB) | 2007-06-28 | — | — | WO | disclosed |