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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HMGCR | P04035 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 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 SCHEMBL9731318 | 0.85 | DCTPP1 (0.41) | IDO1TDO2DCTPP1LMNAALDH1A1 | |
| SCHEMBL9730089 | 0.77 | ALDH1A1 (0.43) | IDO1TDO2LMNAALDH1A1PTGS2 | |
| SCHEMBL9730918 | 0.77 | PTGS2 (0.39) | IDO1TDO2DCTPP1LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL9730343 | 0.70 | MAPK14 (0.41) | NPC1RAB9AKDR | |
| SCHEMBL9730226 | 0.67 | PTGS2 (0.43) | IDO1TDO2DCTPP1LMNAPTGS2 | |
| SCHEMBL9730322 | 0.67 | HMGCR (0.50) | HMGCR | |
| Bromide SCHEMBL9763504 | 0.65 | KDM4E (0.41) | LMNAALDH1A1PTGS2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL376693 | 0.65 | SNCA (0.58) | IDO1ALDH1A1PPARARAB9A | |
| SCHEMBL17699229 | 0.64 | ALDH1A1 (0.44) | IDO1TDO2LMNAALDH1A1PTGS2 | |
| SCHEMBL29392833 | 0.63 | SNCA (0.60) | IDO1ALDH1A1PPARARAB9A |
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-5081136-A | 1,2,3-TRIAZOLE COMPOUNDS ACTIVE AS INHIBITORS OF THE ENZYME HMG-COA REDUCTASE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ZAMBON GROUP S.P.A. (IT) | 1992-01-14 | — | — | US | disclosed |
| EP-0433842-A2 | 1,2,3-Triazole derivatives active as inhibitors of the enzyme HMG-COA reductase and pharmaceutical compositions containing them | ZAMBON GROUP S.p.A. (IT) | 1991-06-26 | — | — | EP | disclosed |