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 | |
|---|---|---|---|---|
| SCHEMBL925414 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1880943 | 0.88 | — | — | |
| SCHEMBL8411582 | 0.88 | — | — | |
| Ethylene Glycol SCHEMBL7596816 | 0.79 | CYP2D6 (0.39) | — | |
| SCHEMBL925703 | 0.75 | — | — | |
| SCHEMBL28807232 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3896194 | 0.72 | — | — | |
| SCHEMBL10822964 | 0.70 | NFKB1 (0.37) | — | |
| SCHEMBL13043201 | 0.69 | — | — | |
| SCHEMBL23957669 | 0.67 | — | — |
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-6888629-B1 | Sensor for performing surface enhanced Raman spectroscopy and method for achieving same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2005-05-03 | — | — | US | disclosed |