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 SCHEMBL2571578 | 1.00 | — | — | |
| SCHEMBL640198 | 0.94 | — | — | |
| SCHEMBL6946814 | 0.94 | — | — | |
| SCHEMBL1189849 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL489095 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL489094 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL4180092 | 0.91 | — | — | |
| Oxalic Acid SCHEMBL2112772 | 0.81 | AGL (0.39) | — | |
| Oxalic Acid SCHEMBL4185610 | 0.81 | AGL (0.39) | — | |
| Hydrochloric Acid SCHEMBL2011965 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2384328-A1 | 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM | Boehringer Ingelheim International GmbH (DE) | 2011-11-09 | — | — | EP | disclosed |
| WO-2010060952-A1 | 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-03 | — | — | WO | disclosed |