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 SCHEMBL10772992 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL30275019 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7890326 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2965876 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL11150424 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9235253 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1287 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL23879391 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1836319 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10526022 | 0.67 | — | — |
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-6723847-B2 | 3-OXO-N-(5-PHENYL-2-PYRIMIDINYL)SPIRO(4-AZAISOBENZOFURAN-1 (3H),1'-CYCLOHEXANE)-4'-CARBOXAMIDE; NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-04-20 | — | — | US | disclosed |
| US-20030220499-A1 | Novel spiro compounds | MSD K.K. (JP) | 2003-11-27 | — | — | US | disclosed |