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 | |
|---|---|---|---|---|
| SCHEMBL437089 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL7011373 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7928153 | 0.74 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL1130 | 0.74 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL14157249 | 0.71 | — | — | |
| SCHEMBL30633598 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL203812 | 0.69 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL9716516 | 0.69 | TSHR (0.38) | — | |
| Hydrochloric Acid SCHEMBL8555733 | 0.69 | TSHR (0.38) | — | |
| Methacrylic Acid SCHEMBL7775583 | 0.68 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1278746-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | Abbott Laboratories (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001083480-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2001-11-08 | — | — | WO | disclosed |