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 SCHEMBL455678 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL455538 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1141528 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL453255 | 0.87 | HTR7 (0.31) | — | |
| Hydrochloric Acid SCHEMBL453637 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL453549 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL450435 | 0.85 | HTR7 (0.33) | — | |
| Hydrochloric Acid SCHEMBL450559 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL452786 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7942528 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120065200-A1 | INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. | 2012-03-15 | — | — | US | disclosed |