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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9524798 | 0.94 | CYP1A2 (0.40) | EPHX1KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9525275 | 0.93 | EPHX1 (0.40) | EPHX1KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9525997 | 0.88 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2AHSD17B10NPC1 | |
| Hydrochloric Acid SCHEMBL9524100 | 0.87 | ALDH1A1 (0.40) | EPHX1KDM4EGSK3BNPY5RALDH1A1 | |
| Hydrochloric Acid SCHEMBL9525020 | 0.86 | ALDH1A1 (0.39) | EPHX1KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9528526 | 0.86 | SLC6A9 (0.38) | KDM4ENPY5RALDH1A1KMT2AHSD17B10 | |
| SCHEMBL9525126 | 0.85 | ALDH1A1 (0.40) | EPHX1KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9525472 | 0.85 | ALDH1A1 (0.38) | EPHX1KDM4EALDH1A1KMT2AHSD17B10 | |
| Iodide SCHEMBL9526189 | 0.84 | ALDH1A1 (0.41) | EPHX1KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9524291 | 0.83 | HDAC1 (0.37) | ALDH1A1MEN1KMT2AHSD17B10MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |