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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16192626 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| Hydrochloric Acid SCHEMBL9803775 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| Hydrochloric Acid SCHEMBL6327 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| Hydrochloric Acid SCHEMBL11017057 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| Hydrochloric Acid SCHEMBL345000 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| Hydrochloric Acid SCHEMBL987207 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL35092 | 0.95 | CYP3A4 (0.45) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL954340 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL22749145 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL22749132 | 0.92 | CYP3A4 (0.43) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037812-A | Anticarcinogenic agents; animals | SMITHKLINE BECKMAN CORPORATION (US) | 1991-08-06 | — | — | US | disclosed |
| EP-0164970-B1 | TUMOR CELL GROWTH-INHIBITING PHARMACEUTICAL COMPOSITIONS CONTAINING PHOSPHINO-HYDROCARBON-GOLD, SILVER OR COPPER COMPLEXES | SMITHKLINE BECKMAN CORPORATION (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0164970-A2 | Tumor cell growth-inhibiting pharmaceutical compositions containing phosphino-hydrocarbon-gold, silver or copper complexes | SMITHKLINE BECKMAN CORPORATION (US) | 1985-12-18 | — | — | EP | disclosed |