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 | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 2/20 | 0.38 |
| ▸ | FLT3 | P36888 | 4/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | PRKCG | P05129 | 1/20 | 0.34 |
| ▸ | PRKCB | P05771 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 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 SCHEMBL9528526 | 0.94 | SLC6A9 (0.38) | SLC6A9FLT3NPY5RSCN1ASCN2A | |
| Hydrochloric Acid SCHEMBL9524291 | 0.87 | HDAC1 (0.37) | ALDH1A1HSD17B10MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL9525275 | 0.85 | EPHX1 (0.40) | ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9523921 | 0.85 | MAPT (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9524780 | 0.83 | FLT3 (0.43) | FLT3NPY5RSCN1ASCN2ASCN3A | |
| Hydrochloric Acid SCHEMBL9524798 | 0.83 | CYP1A2 (0.40) | ALDH1A1HSD17B10KDM4ECYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL9525997 | 0.82 | ALDH1A1 (0.37) | ALDH1A1HSD17B10MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL9525020 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9526588 | 0.81 | EPHX1 (0.46) | NPY5RALDH1A1HSD17B10KDM4EMTNR1A | |
| SCHEMBL9525126 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19 |
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 |