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 | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 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 SCHEMBL7935817 | 0.87 | NISCH (0.31) | NISCHGSTP1CYP17A1CYP19A1CYP11B1 | |
| Hydrochloric Acid SCHEMBL7938958 | 0.80 | NISCH (0.34) | NISCHGSTP1CYP17A1CYP19A1CYP11B1 | |
| Hydrochloric Acid SCHEMBL7926441 | 0.74 | NISCH (0.34) | NISCHGSTP1CYP17A1CYP19A1CYP11B1 | |
| Hydrochloric Acid SCHEMBL7743473 | 0.71 | GSTP1 (0.33) | NISCHGSTP1CYP17A1CYP19A1CYP11B1 | |
| SCHEMBL6662036 | 0.70 | GSTP1 (0.37) | NISCHGSTP1CYP17A1CYP19A1CYP11B1 | |
| SCHEMBL6656510 | 0.66 | GSTP1 (0.33) | NISCHGSTP1ESR1ESR2ALOX5 | |
| SCHEMBL13562132 | 0.66 | CYP1A2 (0.38) | CYP17A1CYP19A1CYP11B1CYP11B2HSD17B1 | |
| Hydrochloric Acid SCHEMBL7935996 | 0.64 | NISCH (0.33) | NISCHGSTP1CYP17A1CYP19A1CYP11B1 | |
| Hydrochloric Acid SCHEMBL7744045 | 0.64 | CYP1A1 (0.33) | NISCHGSTP1ESR1ESR2ALOX5 | |
| Hydrochloric Acid SCHEMBL7926566 | 0.64 | CYP1A1 (0.33) | NISCHGSTP1CYP17A1CYP19A1CYP11B1 |
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-6184402-B1 | RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES | CHISSO CORPORATION (JP) | 2001-02-06 | — | — | US | disclosed |