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 | |
|---|---|---|---|---|
| SCHEMBL56411 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL284066 | 0.86 | — | — | |
| Water SCHEMBL28188005 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL5211248 | 0.86 | — | — | |
| Propane SCHEMBL7199490 | 0.78 | — | — | |
| SCHEMBL30359360 | 0.72 | — | — | |
| Piperazine SCHEMBL28152508 | 0.70 | CXCR4 (0.41) | — | |
| Sulfuric Acid SCHEMBL439606 | 0.70 | CA5A (0.40) | — | |
| SCHEMBL28407091 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL16470726 | 0.68 | TP53 (0.30) | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166159-B | Compounds having PDE9A inhibiting activity and pharmaceutical uses thereof | 韩国化学研究院 | 2023-10-24 | — | — | CN | disclosed |
| EP-3931191-B1 | PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK | GALAPAGOS NV (BE) | 2023-10-04 | — | — | EP | disclosed |
| US-20230111917-A1 | KINASE ANTAGONISTS | UNIV CALIFORNIA (US) | 2023-04-13 | — | — | US | disclosed |
| US-20220144823-A1 | PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK | GALAPAGOS NV (BE) | 2022-05-12 | — | — | US | disclosed |
| EP-3931191-A1 | PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK | Galapagos NV (BE) | 2022-01-05 | — | — | EP | disclosed |
| CN-113474344-A | Pyrazolopyridine derivatives as PASK inhibitors | 加拉帕戈斯股份有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-113166159-A | Compound with PDE9A inhibitory activity and pharmaceutical use thereof | 韩国化学研究院 | 2021-07-23 | — | — | CN | disclosed |
| EP-3845540-A1 | INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2021-07-07 | — | — | EP | disclosed |
| EP-2551270-B1 | PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS | UNIV CALIFORNIA (US) | 2019-06-12 | — | — | EP | disclosed |
| EP-3404032-A2 | PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2018-11-21 | — | — | EP | disclosed |
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| US-20110301144-A1 | Kinase Antagonists | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-12-08 | — | — | US | disclosed |
| WO-2011015652-A1 | 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS | NOVARTIS AG (CH) | 2011-02-10 | — | — | WO | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-21 | — | — | US | disclosed |
| US-20100009963-A1 | KINASE ANTAGONISTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-01-14 | — | — | US | disclosed |
| US-7585868-B2 | Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-09-08 | — | — | US | disclosed |
| EP-2004654-A2 | KINASE ANTAGONISTS | The Regents of the University of California (US) | 2008-12-24 | — | — | EP | disclosed |
| US-20070293516-A1 | Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-12-20 | — | — | US | disclosed |
| WO-2007114926-A2 | KINASE ANTAGONISTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-10-11 | — | — | WO | disclosed |