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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4909167 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL1072129 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL1533171 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL8764635 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Phosphonic Acid SCHEMBL2559059 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL13783655 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL10798243 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL8376782 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL21728872 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL28065237 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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-4118316-A | CONTROLLED POROSITY; FOR MOLECULAR SIZE SEPARATIONS OF CATIONIC POLYMERS | CALGON CORPORATION (US) | 1978-10-03 | — | — | US | disclosed |