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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.47 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
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 SCHEMBL11228418 | 0.82 | HIF1A (0.64) | CYP1A2CYP2D6CYP2A6HIF1ATDP1 | |
| Hydrochloric Acid SCHEMBL29710269 | 0.81 | FDPS (0.50) | CHRNA7CYP1A2CYP2D6HIF1AHRH4 | |
| Hydrochloric Acid SCHEMBL905625 | 0.81 | FDPS (0.50) | CHRNA7CYP1A2CYP2D6HIF1AHRH4 | |
| SCHEMBL31526396 | 0.80 | HIF1A (0.67) | CYP1A2CYP2D6CYP2A6HIF1ATDP1 | |
| Bromide SCHEMBL25408048 | 0.80 | FDPS (0.49) | CHRNA7CYP1A2CYP2D6HIF1ALTA4H | |
| Hydrochloric Acid SCHEMBL6168991 | 0.80 | FDPS (0.49) | CHRNA7CYP1A2CYP2D6HIF1ATBXAS1 | |
| Bromide SCHEMBL29427100 | 0.80 | FDPS (0.49) | CHRNA7CYP1A2CYP2D6HIF1ALTA4H | |
| Hydrochloric Acid SCHEMBL7347040 | 0.79 | FDPS (0.47) | CHRNA7CYP1A2CYP2D6HIF1ATBXAS1 | |
| Bromide SCHEMBL2767870 | 0.78 | HIF1A (0.64) | CYP1A2CYP2D6CYP2A6HIF1ATDP1 | |
| SCHEMBL8700016 | 0.78 | CYP1A2 (0.66) | CHRNA7CYP1A2CYP2D6CYP2A6HRH4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904272-B1 | DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | UNIV VANDERBILT (US) | 2003-04-09 | — | — | EP | disclosed |
| EP-0904272-A1 | DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5686471-A | Dihydrobenzofuran and related compounds useful as anti-inflammatory agents | THE PROCTER & GAMBLE COMPANY (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1997028155-A1 | DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 1997-08-07 | — | — | WO | disclosed |