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 | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 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 | 0.79 | CYP2C9 (0.49) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL8838002 | 0.79 | HRH3 (0.53) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL8630425 | 0.78 | TSHR (0.44) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL8632821 | 0.77 | ITGB3 (0.47) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL8633669 | 0.74 | CYP2C9 (0.44) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL8633635 | 0.74 | TSHR (0.44) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL8631650 | 0.73 | ITGB3 (0.48) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL8634854 | 0.73 | ITGB3 (0.51) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL8699382 | 0.73 | ITGB3 (0.43) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 | |
| SCHEMBL7401786 | 0.73 | ITGB3 (0.53) | ITGB3ITGA2BROCK2ALDH1A1CYP2C9 |
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 |