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 SCHEMBL7935667 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1201256 | 0.86 | PDCD1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4463611 | 0.86 | SLC6A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7933036 | 0.85 | SLC22A12 (0.31) | — | |
| SCHEMBL8903129 | 0.85 | PDCD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7646524 | 0.83 | PDCD1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7644444 | 0.83 | SLC6A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6056242 | 0.81 | — | — | |
| SCHEMBL5709148 | 0.80 | PDCD1 (0.34) | — | |
| SCHEMBL4079021 | 0.79 | PDCD1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6184402-B1 | RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES | CHISSO CORPORATION (JP) | 2001-02-06 | — | — | US | disclosed |