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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 SCHEMBL9525309 | 0.89 | ALDH1A1 (0.38) | ALDH1A1TPSAB1PKMCTSSOPRD1 | |
| Hydrochloric Acid SCHEMBL9526271 | 0.88 | SLC6A9 (0.38) | ALDH1A1KDM4E | |
| SCHEMBL9528522 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TPSAB1KDM4EHPGDPKM | |
| Hydrochloric Acid SCHEMBL9528526 | 0.81 | SLC6A9 (0.38) | ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL9524291 | 0.81 | HDAC1 (0.37) | ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL9525275 | 0.79 | EPHX1 (0.40) | ALDH1A1KDM4ELMNAGAA | |
| Hydrochloric Acid SCHEMBL9523921 | 0.78 | MAPT (0.37) | HPGDPKMLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9524798 | 0.76 | CYP1A2 (0.40) | ALDH1A1KDM4ELMNAGAA | |
| Hydrochloric Acid SCHEMBL9526084 | 0.76 | HDAC1 (0.35) | ALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9525020 | 0.76 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDGAAPOLB |
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 2 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 |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |