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 | |
|---|---|---|---|---|
| Water SCHEMBL29073159 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL29004524 | 0.98 | CA12 (0.30) | — | |
| SCHEMBL1532288 | 0.96 | SLC22A2 (0.31) | — | |
| SCHEMBL29056348 | 0.93 | SLC22A2 (0.30) | — | |
| SCHEMBL29128753 | 0.93 | SLC22A2 (0.30) | — | |
| SCHEMBL7961763 | 0.83 | — | — | |
| SCHEMBL29391746 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL30042005 | 0.68 | MAPT (0.35) | — | |
| Hydrochloric Acid SCHEMBL636092 | 0.68 | MAPT (0.35) | — | |
| SCHEMBL28703067 | 0.65 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116120246-B | 3-Butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2024-11-19 | — | — | CN | disclosed |
| CN-116120246-A | 3-butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2023-05-16 | — | — | CN | disclosed |