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 SCHEMBL6065623 | 0.95 | HSD11B1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6065952 | 0.94 | HSD11B1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6065743 | 0.94 | HSD11B1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6064935 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL5948638 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL6065742 | 0.90 | TUBB4A (0.31) | — | |
| Hydrochloric Acid SCHEMBL6065551 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6065786 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL6065281 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL6065871 | 0.85 | — | — |
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-7101940-B2 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2006-09-05 | — | — | US | disclosed |
| US-20030013913-A1 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-01-16 | — | — | US | disclosed |