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.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL238451 | 0.92 | KDM4E (0.34) | KDM4EALDH1A1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL13859413 | 0.88 | KDM4E (0.38) | KDM4EALDH1A1HRH4HRH3 | |
| SCHEMBL5495057 | 0.88 | KDM4E (0.33) | KDM4EALDH1A1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL6658209 | 0.86 | HRH4 (0.36) | KDM4EALDH1A1HRH4HRH3 | |
| SCHEMBL6656797 | 0.83 | — | — | |
| Perchlorate SCHEMBL6658836 | 0.83 | — | — | |
| SCHEMBL5035490 | 0.81 | CYP2C19 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL4915897 | 0.81 | CYP2C19 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL4908355 | 0.81 | CYP2C19 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL19287116 | 0.81 | CYP2C19 (0.35) | KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1160267-B1 | CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE | JAPAN SCIENCE & TECH CORP (JP) | 2004-08-04 | — | — | EP | disclosed |