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 SCHEMBL6221557 | 0.69 | CDC25A (0.34) | — | |
| Hydrochloric Acid SCHEMBL4057072 | 0.67 | SIGMAR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4083877 | 0.67 | CYP11B1 (0.34) | — | |
| Fluoride Ion SCHEMBL27933013 | 0.65 | CDC25A (0.34) | — | |
| Bromide SCHEMBL27933092 | 0.65 | CDC25A (0.34) | — | |
| Iodide SCHEMBL27932917 | 0.65 | CDC25A (0.34) | — | |
| Hydrochloric Acid SCHEMBL28553655 | 0.65 | GAA (0.33) | — | |
| SCHEMBL4058934 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8584712 | 0.64 | TACR1 (0.33) | — | |
| Iodide SCHEMBL28815090 | 0.63 | CYP19A1 (0.31) | — |
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-1710247-B1 | TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION | IDEMITSU KOSAN CO (JP) | 2009-10-21 | — | — | EP | disclosed |
| EP-1710247-A1 | TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION | IDEMITSU KOSAN CO., LTD. (JP) | 2006-10-11 | — | — | EP | disclosed |