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 SCHEMBL3687687 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3691143 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4317151 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3688655 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL3697225 | 0.86 | EDNRB (0.33) | — | |
| Hydrochloric Acid SCHEMBL3688831 | 0.84 | — | — | |
| SCHEMBL6634286 | 0.84 | — | — | |
| SCHEMBL7187005 | 0.83 | PARP1 (0.30) | — | |
| SCHEMBL5914864 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3694509 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100056737-A1 | Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts | NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) | 2010-03-04 | — | — | US | disclosed |
| US-7579416-B2 | Catalyst system for olefin polymerization | BASELL POLYOLEFINE GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| US-20070149386-A1 | Catalyst system for olefin polymerization | EQUISTAR CHEMICALS, LP | 2007-06-28 | — | — | US | disclosed |
| EP-1697428-A1 | CATALYST SYSTEM FOR OLEFIN POLYMERIZATION | Basell Polyolefine GmbH (DE) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005063829-A1 | CATALYST SYSTEM FOR OLEFIN POLYMERIZATION | BASELL POLYOLEFINE GMBH (DE) | 2005-07-14 | — | — | WO | disclosed |