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 SCHEMBL6519140 | 0.86 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL29612274 | 0.77 | GABRA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL7165176 | 0.77 | GABRA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL6520739 | 0.73 | — | — | |
| SCHEMBL7051252 | 0.73 | — | — | |
| SCHEMBL5351499 | 0.72 | — | — | |
| SCHEMBL4082379 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6519412 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6515351 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7919788 | 0.68 | GABRA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6872843-B2 | Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2005-03-29 | — | — | US | disclosed |
| US-20040023940-A1 | Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins | EQUISTAR CHEMICALS, LP | 2004-02-05 | — | — | US | disclosed |