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 SCHEMBL723185 | 0.80 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL60273 | 0.80 | HTR2A (0.33) | — | |
| Bromide SCHEMBL6910231 | 0.78 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL6909128 | 0.78 | HTR6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6746482 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6554716 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6917310 | 0.77 | HTR6 (0.32) | — | |
| SCHEMBL5838450 | 0.76 | HTR2A (0.33) | — | |
| Bromide SCHEMBL6910531 | 0.76 | HTR2A (0.37) | — | |
| Fluoride Ion SCHEMBL1130679 | 0.76 | HTR2A (0.33) | — |
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-6063725-A | CATALYST COMPRISING ORGANIC TRANSITION METAL COMPOUND AND SEPARATE SUPPORT COMPRISING ORGANIC CARBONYL-CONTAINING COMPOUND AND ORGANIC ALUMINUM OXY COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2000-05-16 | — | — | US | disclosed |
| EP-0773237-A1 | Olefin polymerization catalyst system | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-05-14 | — | — | EP | disclosed |