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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.30 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.30 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 SCHEMBL7562346 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL230096 | 0.94 | TDP1 (0.53) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL11664569 | 0.94 | TDP1 (0.53) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL29009366 | 0.90 | TDP1 (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| Phosphine SCHEMBL21463026 | 0.90 | TDP1 (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL11655670 | 0.90 | TDP1 (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL28788167 | 0.90 | TDP1 (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| Ethane SCHEMBL5591025 | 0.85 | CYP3A4 (0.45) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL7562350 | 0.85 | CYP3A4 (0.45) | CYP3A4TDP1KDM4EGAAESR1 | |
| Ethane SCHEMBL5755625 | 0.85 | CYP3A4 (0.45) | CYP3A4TDP1KDM4EGAAESR1 |
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-4463202-A | SOLVENT EXTRACTION, HYDROXYSIS, AND SEPARATION | STAUFFER CHEMICAL COMPANY (US) | 1984-07-31 | — | — | US | disclosed |