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 | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.38 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 SCHEMBL22734669 | 0.85 | POLB (0.33) | CSNK1A1CSNK1DCSNK1ECSNK1G2CSNK1G1 | |
| Hydrochloric Acid SCHEMBL22734515 | 0.82 | RORA (0.44) | CSNK1A1CSNK1DCSNK1ECSNK1G2CSNK1G1 | |
| Hydrochloric Acid SCHEMBL22734537 | 0.82 | MAPT (0.41) | CSNK1A1CSNK1DCSNK1ECSNK1G2CSNK1G1 | |
| SCHEMBL22734548 | 0.81 | GAA (0.49) | CSNK1A1CSNK1DCSNK1ECSNK1G2CSNK1G1 | |
| Hydrochloric Acid SCHEMBL22734575 | 0.69 | CHRM1 (0.45) | ALDH1A1KMT2AMEN1TP53TSHR | |
| Hydrochloric Acid SCHEMBL22734553 | 0.69 | KDM4E (0.41) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL22734551 | 0.68 | NLRP3 (0.34) | ALDH1A1KMT2AGSTO1KDM4E | |
| Trimethylammonium SCHEMBL4941632 | 0.68 | NLRP3 (0.34) | ALDH1A1KMT2AGSTO1KDM4E | |
| SCHEMBL4940386 | 0.65 | TSHR (0.46) | ALDH1A1CYP2C19GAAKMT2ATSHR | |
| Hydrochloric Acid SCHEMBL11397820 | 0.62 | CA1 (0.67) | CYP3A4CYP2C19TSHRTDP1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200386767-A1 | Analytical method and apparatus using fingerprints on the basis of types in expression levels of express trace proteins and/or peptides contained in living tissue and/or biological fluid | SHINWA CHEMICAL INDUSTRIES LTD. (JP) | 2020-12-10 | — | — | US | disclosed |
| US-8796037-B2 | Method of detection, separation and identification for expressed trace protein/peptide | IMAI KAZUHIRO (JP) | 2014-08-05 | — | — | US | disclosed |
| US-20080280316-A1 | Mass spectrometry; liquid chromatography; automatic fractionation | IMAI KAZUHIRO | 2008-11-13 | — | — | US | disclosed |