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 | |
|---|---|---|---|---|
| SCHEMBL627768 | 0.67 | — | — | |
| SCHEMBL6562332 | 0.48 | — | — | |
| Hydrochloric Acid SCHEMBL30980140 | 0.41 | — | — | |
| SCHEMBL1004982 | 0.38 | CYP3A4 (0.32) | — | |
| SCHEMBL1004841 | 0.38 | CYP3A4 (0.32) | — | |
| SCHEMBL2749936 | 0.38 | CYP3A4 (0.32) | — | |
| Calcium Chloride SCHEMBL27308455 | 0.38 | — | — | |
| Calcium Chloride SCHEMBL28286217 | 0.38 | — | — | |
| Hexamethylbenzene SCHEMBL8521012 | 0.35 | — | — | |
| Hexamethylbenzene SCHEMBL3999981 | 0.35 | — | — |
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-7148224-B2 | An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-12-12 | — | — | US | disclosed |
| US-20050176719-A1 | Novel pyrazinone derivatives | MSD K.K. (JP) | 2005-08-11 | — | — | US | disclosed |
| US-6914062-B2 | Pyrazinone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1295878-B1 | PYRAZINONE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-09-15 | — | — | EP | disclosed |
| US-20030203907-A1 | An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis | MSD K.K. (JP) | 2003-10-30 | — | — | US | disclosed |
| EP-1295878-A1 | NOVEL PYRAZINONE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-03-26 | — | — | EP | disclosed |