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 | |
|---|---|---|---|---|
| SCHEMBL9091500 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8537423 | 0.64 | SLC6A4 (0.31) | — | |
| SCHEMBL8776108 | 0.62 | SLC6A4 (0.40) | — | |
| SCHEMBL8853881 | 0.61 | SLC6A4 (0.41) | — | |
| SCHEMBL8775944 | 0.59 | SLC6A4 (0.36) | — | |
| SCHEMBL8168093 | 0.57 | SLC6A4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL4120454 | 0.57 | SLC6A2 (0.31) | — | |
| SCHEMBL8501697 | 0.56 | SLC6A4 (0.33) | — | |
| SCHEMBL6469961 | 0.56 | CHRM3 (0.34) | — | |
| SCHEMBL5356093 | 0.55 | SLC6A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705851-B9 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | CONOCOPHILLIPS CO (US) | 2004-08-11 | — | — | EP | disclosed |
| EP-0705851-B1 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | CONOCOPHILLIPS CO (US) | 2004-01-21 | — | — | EP | disclosed |
| US-5594078-A | BRIDGED FLUORENYL METALLOCENE CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| US-5534473-A | METALLOCENES AND COCATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-07-09 | — | — | US | disclosed |