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 | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8696501 | 0.78 | CYP2C9 (0.49) | HRH3KDM4EITGB3ITGA2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL8699382 | 0.74 | ITGB3 (0.43) | HRH3KDM4EITGB3ITGA2BNPY2R | |
| SCHEMBL8634059 | 0.73 | ITGB3 (0.44) | HRH3KDM4EITGB3ITGA2BNPY2R | |
| Hydrochloric Acid SCHEMBL8637477 | 0.72 | GAA (0.46) | HRH3KDM4EITGB3ITGA2BOPRM1 | |
| SCHEMBL8633635 | 0.70 | TSHR (0.44) | HRH3KDM4EITGB3ITGA2BNPY2R | |
| SCHEMBL8635654 | 0.70 | MAPT (0.44) | HRH3KDM4ENPY2RALDH1A1 | |
| SCHEMBL8635011 | 0.69 | ITGB3 (0.48) | HRH3ITGB3ITGA2BOPRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8837973 | 0.68 | ITGB3 (0.47) | HRH3ITGB3ITGA2BOPRM1ALDH1A1 | |
| SCHEMBL8631482 | 0.68 | KAT2B (0.43) | HRH3NPY2RALDH1A1POLBRAB9A | |
| SCHEMBL9023631 | 0.68 | ITGB3 (0.47) | HRH3KDM4EITGB3ITGA2BOPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5728701-A | INHIBIT PLATELET AGGREGATION | ZENECA LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |