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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.31 |
| ▸ | RORA | P35398 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 4/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.31 |
| ▸ | RRM1 | P23921 | 1/20 | 0.31 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.31 |
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 SCHEMBL22734577 | 0.84 | KMT2A (0.37) | RORARORCNR1H2KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL22734538 | 0.82 | ALDH1A1 (0.36) | KMT2AALDH1A1POLBMEN1 | |
| SCHEMBL22734597 | 0.80 | RORA (0.46) | RORARORCNR1H2NLRP3PFKFB3 | |
| Trimethylammonium SCHEMBL22734514 | 0.80 | RORA (0.46) | RORARORCNR1H2NLRP3PFKFB3 | |
| SCHEMBL3498898 | 0.77 | RORA (0.52) | RORARORCNR1H2NLRP3PFKFB3 | |
| Hydrochloric Acid SCHEMBL22734515 | 0.75 | RORA (0.44) | RORARORCNR1H2NLRP3PFKFB3 | |
| SCHEMBL4946887 | 0.72 | RORA (0.46) | RORARORCNR1H2NLRP3PFKFB3 | |
| SCHEMBL19391630 | 0.72 | RORA (0.46) | RORARORCNR1H2NLRP3PFKFB3 | |
| SCHEMBL5282632 | 0.71 | RORA (0.47) | RORARORCNR1H2NLRP3PFKFB3 | |
| SCHEMBL5298184 | 0.70 | POLB (0.52) | RORARORCNR1H2NLRP3PFKFB3 |
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 1 patent. 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 |