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 SCHEMBL9864947 | 0.82 | — | — | |
| SCHEMBL9670213 | 0.77 | EPHX1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL9864954 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9669496 | 0.75 | EPHX1 (0.44) | — | |
| SCHEMBL11406665 | 0.73 | EPHX1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL9863537 | 0.73 | — | — | |
| SCHEMBL10910652 | 0.73 | EPHX1 (0.57) | — | |
| SCHEMBL9863527 | 0.73 | EPHX1 (0.57) | — | |
| SCHEMBL9575983 | 0.73 | EPHX1 (0.57) | — | |
| SCHEMBL9575985 | 0.73 | EPHX1 (0.57) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5025005-A | Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-18 | — | — | US | disclosed |
| US-4737518-A | ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-12 | — | — | US | disclosed |
| EP-0157609-A2 | Lipid derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-10-09 | — | — | EP | disclosed |