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 SCHEMBL6097485 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL6601056 | 0.87 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6096029 | 0.72 | GAA (0.34) | — | |
| SCHEMBL6388705 | 0.71 | RAD52 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6097678 | 0.71 | GAA (0.33) | — | |
| Hydrochloric Acid SCHEMBL5537944 | 0.70 | NPC1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL6410951 | 0.69 | GAA (0.54) | — | |
| Hydrochloric Acid SCHEMBL6507436 | 0.69 | GAA (0.37) | — | |
| Hydrochloric Acid SCHEMBL7252504 | 0.69 | NPC1 (0.39) | — | |
| SCHEMBL2924995 | 0.69 | NPC1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132543-B2 | Para-phenylenediamine derivatives containing a disubstituted pyrrolidinyl group bearing a cationic radical, and use of the same for dyeing keratin fibers | L'OREAL S.A. (FR) | 2006-11-07 | — | — | US | disclosed |