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 SCHEMBL2349817 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL3679831 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL540419 | 0.65 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7644405 | 0.65 | NPC1 (0.32) | — | |
| SCHEMBL30719677 | 0.65 | DYRK1A (0.52) | — | |
| SCHEMBL14156955 | 0.64 | TSHR (0.48) | — | |
| SCHEMBL15458052 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL7595586 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL16272054 | 0.63 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL3675424 | 0.62 | NPC1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110269923-A1 | MULTI-COMPONENT CATALYST SYSTEMS AND POLYMERIZATION PROCESSES FOR FORMING IN-SITU HETEROPHASIC COPOLYMERS AND/OR VARYING THE XYLENE SOLUBLES CONTENT OF POLYOLEFINS | FINA TECHNOLOGY, INC. (US) | 2011-11-03 | — | — | US | claimed |
| US-20110269923-A1 | MULTI-COMPONENT CATALYST SYSTEMS AND POLYMERIZATION PROCESSES FOR FORMING IN-SITU HETEROPHASIC COPOLYMERS AND/OR VARYING THE XYLENE SOLUBLES CONTENT OF POLYOLEFINS | FINA TECHNOLOGY, INC. (US) | 2011-11-03 | — | — | US | disclosed |
| US-8003739-B2 | Multi-component catalyst systems and polymerization processes for forming in-situ heterophasic copolymers and/or varying the xylene solubles content of polyolefins | FINA TECHNOLOGY, INC. (US) | 2011-08-23 | — | — | US | disclosed |