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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.30 |
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 SCHEMBL7936328 | 0.85 | NISCH (0.31) | NISCHPTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL7926787 | 0.84 | NISCH (0.35) | NISCHCHRNB4CHRNA3PARP10PARP11 | |
| Hydrochloric Acid SCHEMBL2401870 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7937003 | 0.80 | TAAR1 (0.34) | NISCHTAAR1ESR2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7938979 | 0.77 | NISCH (0.34) | NISCHESR2CYP17A1CYP3A4CYP11B1 | |
| Hydrochloric Acid SCHEMBL7551962 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7926368 | 0.75 | NISCH (0.31) | NISCH | |
| Hydrochloric Acid SCHEMBL7933150 | 0.74 | NISCH (0.34) | NISCHTAAR1ESR2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7935704 | 0.73 | NISCH (0.33) | NISCHTAAR1ESR2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7933147 | 0.71 | TAAR1 (0.33) | NISCHTAAR1ESR2CHRNB4CHRNA3 |
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 |