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 | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 4/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | F13A1 | P00488 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA5A | P35218 | 2/20 | 0.52 |
| ▸ | THPO | P40225 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.52 |
| ▸ | CASP2 | P42575 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL183049 | 0.96 | PAOX (0.76) | PAOXKDM4EMAPK1HIF1ACA12 | |
| Spermine SCHEMBL25409776 | 0.96 | PAOX (0.76) | PAOXKDM4EMAPK1HIF1ACA12 | |
| Hydrochloric Acid SCHEMBL15641673 | 0.94 | PAOX (0.74) | PAOXKDM4EMAPK1HIF1ACA12 | |
| Spermidine SCHEMBL10954114 | 0.94 | PAOX (0.80) | PAOXKDM4EMAPK1HIF1ACA12 | |
| SCHEMBL193116 | 0.94 | PAOX (0.73) | PAOXKDM4EMAPK1HIF1ACA12 | |
| SCHEMBL25229942 | 0.92 | PAOX (0.77) | PAOXKDM4EMAPK1HIF1ACA12 | |
| Hydrochloric Acid SCHEMBL27789136 | 0.92 | PAOX (0.70) | PAOXKDM4EMAPK1HIF1ACA12 | |
| SCHEMBL22171096 | 0.92 | PAOX (0.69) | PAOXKDM4EMAPK1HIF1ACA12 | |
| SCHEMBL22171088 | 0.92 | PAOX (0.69) | PAOXKDM4EMAPK1HIF1ACA12 | |
| SCHEMBL183048 | 0.90 | PAOX (0.80) | PAOXKDM4EMAPK1HIF1ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116735754-A | High-resolution liquid chromatography-mass spectrometry analysis method and application of amino acid metabolites | 北京大学现代农业研究院 | 2023-09-12 | — | — | CN | disclosed |
| EP-2948775-B1 | COMPOSITIONS AND METHODS FOR DETECTING NEOPLASIA | US HEALTH (US) | 2018-10-03 | — | — | EP | disclosed |
| US-20150344969-A1 | COMPOSITIONS AND METHODS FOR DETECTING NEOPLASIA | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES | 2015-12-03 | — | — | US | disclosed |