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 | |
|---|---|---|---|---|
| SCHEMBL45941 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL1343696 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL1164553 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL6618 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1200019 | 0.88 | — | — | |
| SCHEMBL28386367 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL16007514 | 0.88 | — | — | |
| SCHEMBL820230 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL820635 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL2154068 | 0.81 | KDM4E (0.31) | — |
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-1926708-A1 | BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION | Decode Chemistry, Inc. (US) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007040682-A1 | BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION | DECODE GENETICS EHF. (IS) | 2007-04-12 | — | — | WO | disclosed |