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 | |
|---|---|---|---|---|
| SCHEMBL56445 | 0.94 | — | — | |
| Ethane SCHEMBL27512472 | 0.91 | NCF1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL767785 | 0.91 | NCF1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL2681114 | 0.91 | — | — | |
| Butane SCHEMBL27416383 | 0.83 | GNAI3 (0.52) | — | |
| SCHEMBL12233404 | 0.83 | — | — | |
| SCHEMBL21287483 | 0.83 | — | — | |
| SCHEMBL13547198 | 0.83 | — | — | |
| SCHEMBL23742253 | 0.81 | NCF1 (0.41) | — | |
| Acetaldehyde SCHEMBL27514219 | 0.81 | NCF1 (0.41) | — |
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-8680139-B2 | Anti-neoplastic compounds, compositions and methods | PROGENRA (US) | 2014-03-25 | — | — | US | disclosed |
| US-20120114765-A1 | ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS | PROGENRA | 2012-05-10 | — | — | US | disclosed |
| WO-2010114881-A1 | ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS | PROGENRA INC. (US) | 2010-10-07 | — | — | WO | disclosed |