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 | |
|---|---|---|---|---|
| SCHEMBL380579 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3952807 | 0.93 | TSHR (0.61) | — | |
| SCHEMBL28760306 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL362692 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL29752354 | 0.93 | TSHR (0.67) | — | |
| Methane SCHEMBL27481198 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3948968 | 0.91 | TSHR (0.58) | — | |
| SCHEMBL22500035 | 0.91 | — | — | |
| Cyanide SCHEMBL28953173 | 0.88 | TSHR (0.61) | — | |
| SCHEMBL27965764 | 0.88 | TSHR (0.61) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009022182-A1 | DEPSIPEPTIDE DERIVATIVES AND THEIR THERAPEUTIC USE | KARUS THERAPEUTICS LIMITED (GB) | 2009-02-19 | — | — | WO | disclosed |