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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.39 |
| ▸ | KLK1 | P06870 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | SMO | Q99835 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.37 |
| ▸ | PLG | P00747 | 2/20 | 0.37 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
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 SCHEMBL6560412 | 0.97 | PTGS2 (0.41) | PTGS2KLKB1KLK1ROCK2SMO | |
| Hydrochloric Acid SCHEMBL6563404 | 0.85 | HTT (0.55) | SMOHTTALDH1A1MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6563409 | 0.83 | HTT (0.55) | SMOHTTALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL6563210 | 0.79 | MAPT (0.46) | KLKB1KLK1MAPTKDM4EMAPK1 | |
| SCHEMBL5164978 | 0.76 | GAA (0.56) | ROCK2HTTALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL27505713 | 0.76 | GAA (0.56) | ROCK2HTTALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5260189 | 0.75 | ITGB1 (0.61) | ITGB1ITGA4 | |
| SCHEMBL4514318 | 0.75 | ITGB1 (0.61) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL7350429 | 0.75 | GAA (0.55) | ROCK2HTTALDH1A1MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27553335 | 0.75 | GAA (0.55) | ROCK2HTTALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144365-B1 | INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2004-03-17 | — | — | EP | disclosed |