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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 6/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | GLA | P06280 | 4/20 | 0.62 |
| ▸ | GAA | P10253 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | CASP1 | P29466 | 2/20 | 0.62 |
| ▸ | CASP7 | P55210 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | KLK7 | P49862 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1476174 | 0.97 | HSD17B3 (0.74) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL334089 | 0.96 | HSD17B3 (0.72) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| SCHEMBL10794465 | 0.85 | HSD17B3 (0.73) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| SCHEMBL11097084 | 0.83 | HSD17B3 (0.89) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| SCHEMBL3767036 | 0.83 | HSD17B3 (1.00) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| SCHEMBL10795060 | 0.82 | HSD17B3 (0.86) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| SCHEMBL10791187 | 0.81 | HSD17B3 (0.71) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| SCHEMBL3136947 | 0.81 | HSD17B3 (0.60) | HSD17B3KDM4EGLAGAAALDH1A1 | |
| SCHEMBL29944843 | 0.81 | KDM4E (0.55) | HSD17B3KDM4EGAAALDH1A1HPGD | |
| SCHEMBL7141692 | 0.81 | KDM4E (0.55) | HSD17B3KDM4EGAAALDH1A1HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1095032-A1 | NOVEL CYP2D FLUORESCENT ASSAY REAGENTS | GENTEST CORPORATION (US) | 2001-05-02 | — | — | EP | claimed |
| WO-2000004008-A1 | NOVEL CYP2D FLUORESCENT ASSAY REAGENTS | GENTEST CORPORATION (US) | 2000-01-27 | — | — | WO | claimed |
| EP-1095032-B1 | REAGENTS FOR CYP2D FLUORESCENT ASSAY | GENTEST CORP (US) | 2003-12-10 | — | — | EP | disclosed |
| EP-1095032-A1 | NOVEL CYP2D FLUORESCENT ASSAY REAGENTS | GENTEST CORPORATION (US) | 2001-05-02 | — | — | EP | disclosed |
| US-6130342-A | A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP | GENTEST CORPORATION (US) | 2000-10-10 | — | — | US | disclosed |
| WO-2000004008-A1 | NOVEL CYP2D FLUORESCENT ASSAY REAGENTS | GENTEST CORPORATION (US) | 2000-01-27 | — | — | WO | disclosed |