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 SCHEMBL2761165 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2760702 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3119455 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2761068 | 0.67 | MAPT (0.31) | — | |
| Hydrochloric Acid SCHEMBL6115724 | 0.65 | TBXAS1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2761066 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL2761006 | 0.65 | TBXAS1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2760741 | 0.64 | ALDH1A1 (0.33) | — | |
| Iodide SCHEMBL2761239 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL3479569 | 0.62 | — | — |
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-9555394-B2 | Method of making ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2017-01-31 | — | — | US | disclosed |
| US-20140057048-A1 | METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-02-27 | — | — | US | disclosed |
| US-8623279-B2 | Ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-01-07 | — | — | US | disclosed |
| US-20120128551-A1 | IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-05-24 | — | — | US | disclosed |
| WO-2010135660-A2 | IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-11-25 | — | — | WO | disclosed |