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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL31057434 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28581401 | 0.94 | — | — | |
| SCHEMBL18035 | 0.94 | — | — | |
| SCHEMBL847526 | 0.94 | — | — | |
| SCHEMBL31673148 | 0.94 | — | — | |
| SCHEMBL2473867 | 0.94 | NOS2 (0.35) | — | |
| SCHEMBL10067 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28071876 | 0.92 | — | — | |
| SCHEMBL2908756 | 0.91 | — | — | |
| Cyclohexane SCHEMBL20659770 | 0.91 | NOS2 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |
| CN-111918863-B | Heterocyclic compounds | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |
| WO-2023132369-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT | 中外製薬株式会社 | 2023-07-13 | — | — | WO | disclosed |
| US-20230117295-A1 | NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-04-20 | — | — | US | disclosed |
| US-11584737-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-02-21 | — | — | US | disclosed |
| US-20210363130-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-11-25 | — | — | US | disclosed |
| EP-3782986-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2021-02-24 | — | — | EP | disclosed |