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 SCHEMBL5089860 | 0.78 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5609743 | 0.75 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3674615 | 0.74 | BCHE (0.30) | — | |
| Hydrochloric Acid SCHEMBL16424505 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL16424309 | 0.72 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL16424503 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6900779 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5609416 | 0.70 | CACNA1G (0.33) | — | |
| Hydrochloric Acid SCHEMBL16424157 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL16424145 | 0.70 | DRD2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5824620-A | ZIRCONIUM COMPLEX CATALYST USED TO POLYMERIZE ETHYLENE | REPSOL QUIMICA S.A. (ES) | 1998-10-20 | — | — | US | claimed |
| EP-0757992-B1 | Heterogenous metallocene catalysts and use thereof in olefin polymerization process | REPSOL QUIMICA SA (ES) | 2004-03-03 | — | — | EP | disclosed |
| US-6133187-A | A CATALYST COMPONENT OBTAINED BY CONTACTING A METALLOCENE COMPOUND WITH AN INORGANIC SUPPORT FORMING STRONG BOND | REPSOL QUIMICA S.A. (ES) | 2000-10-17 | — | — | US | disclosed |
| EP-0757992-A1 | Heterogenous metallocene catalysts and use thereof in olefin polymerization process | REPSOL QUIMICA S.A. (ES) | 1997-02-12 | — | — | EP | disclosed |