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 | |
|---|---|---|---|---|
| SCHEMBL7198318 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5693555 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8209390 | 0.73 | — | — | |
| SCHEMBL4438037 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL7200342 | 0.63 | BCHE (0.31) | — | |
| SCHEMBL7201155 | 0.63 | PREP (0.34) | — | |
| Hydrochloric Acid SCHEMBL5693383 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL8212304 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL8212327 | 0.59 | CYP19A1 (0.31) | — | |
| SCHEMBL30556213 | 0.59 | CA1 (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-0880534-B1 | HETEROATOM SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS FOR PREPARING THEM | BOREALIS TECH OY (FI) | 2003-12-17 | — | — | EP | disclosed |
| US-6277778-B1 | COORDINATION CATALYSTS | BOREALIS A/S (DK) | 2001-08-21 | — | — | US | disclosed |