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 SCHEMBL6747679 | 0.80 | HDAC6 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8318101 | 0.77 | HDAC6 (0.37) | — | |
| Hydrochloric Acid SCHEMBL6749106 | 0.75 | HDAC6 (0.38) | — | |
| SCHEMBL6749064 | 0.70 | HDAC6 (0.41) | — | |
| SCHEMBL6746539 | 0.70 | HDAC6 (0.41) | — | |
| SCHEMBL6747294 | 0.70 | HDAC6 (0.39) | — | |
| SCHEMBL6745492 | 0.70 | HDAC6 (0.40) | — | |
| SCHEMBL7145315 | 0.69 | HDAC6 (0.39) | — | |
| SCHEMBL6747245 | 0.69 | HDAC6 (0.39) | — | |
| SCHEMBL6747458 | 0.69 | HDAC6 (0.40) | — |
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-20040092737-A1 | Benzopiperidine derivatives | EISAI CO., LTD. | 2004-05-13 | — | — | US | disclosed |
| US-6518423-B1 | These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and | EISAI CO., LTD. (JP) | 2003-02-11 | — | — | US | disclosed |
| EP-0934941-A1 | BENZOPIPERIDINE DERIVATIVES | Eisai Co., Ltd. (JP) | 1999-08-11 | — | — | EP | disclosed |