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 SCHEMBL15329295 | 0.84 | PBRM1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3838875 | 0.80 | PDCD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5003928 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5004313 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL30133762 | 0.75 | BRD4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5006936 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5000041 | 0.75 | — | — | |
| SCHEMBL2962695 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL31536928 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL1451774 | 0.72 | PBRM1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013158411-A1 | METHODS OF SEPARATING COMPOUNDS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2013-10-24 | — | — | WO | disclosed |
| US-20130276519-A1 | Methods of Separating Compounds | EXXONMOBIL CHEMICAL PATENTS INC. | 2013-10-24 | — | — | US | disclosed |