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 SCHEMBL78567 | 0.81 | POLB (0.33) | — | |
| Fluoride Ion SCHEMBL1130886 | 0.78 | POLB (0.33) | — | |
| Bromide SCHEMBL7205887 | 0.78 | POLB (0.33) | — | |
| SCHEMBL4577361 | 0.78 | POLB (0.33) | — | |
| Hydrochloric Acid SCHEMBL1135091 | 0.76 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL1135042 | 0.76 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL1135043 | 0.76 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL451011 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL820140 | 0.75 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL819608 | 0.75 | MEN1 (0.32) | — |
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-6114555-A | Functionalized metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA S.A. (ES) | 2000-09-05 | — | — | US | disclosed |