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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 8/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.47 |
| ▸ | PLAU | P00749 | 7/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | PLG | P00747 | 1/20 | 0.45 |
| ▸ | PLAT | P00750 | 1/20 | 0.45 |
| ▸ | KLK1 | P06870 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL429692 | 0.96 | LMNA (0.61) | LMNAMAPK1HTTRAB9APRSS1 | |
| Hydrochloric Acid SCHEMBL9741360 | 0.95 | PRSS1 (0.59) | LMNAMAPK1HTTRAB9APRSS1 | |
| SCHEMBL10143507 | 0.82 | PRSS1 (0.58) | LMNAMAPK1HTTRAB9APRSS1 | |
| SCHEMBL3368852 | 0.81 | PRSS1 (0.77) | MAPK1PRSS1PRSS2PRSS3PLAU | |
| Hydrochloric Acid SCHEMBL5112303 | 0.81 | PRSS1 (0.59) | LMNAPRSS1PRSS2PRSS3PLAU | |
| Hydrochloric Acid SCHEMBL6287246 | 0.80 | PRSS1 (0.77) | PRSS1PRSS2PRSS3PLAU | |
| SCHEMBL3668139 | 0.79 | HTT (0.61) | LMNAMAPK1HTTRAB9APDE4A | |
| SCHEMBL1477740 | 0.79 | HTT (0.71) | LMNAMAPK1HTTRAB9AAR | |
| SCHEMBL30278904 | 0.79 | HTT (0.71) | LMNAMAPK1HTTRAB9AAR | |
| SCHEMBL20936840 | 0.78 | LMNA (0.51) | LMNAMAPK1HTTRAB9APRSS1 |
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-0233706-B1 | HALOGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM | Chisso Corporation (JP) | 1991-09-11 | — | — | EP | disclosed |
| US-4865763-A | LOW TEMPERATURE STABILITY | CHISSO CORPORATION (JP) | 1989-09-12 | — | — | US | disclosed |
| US-4765924-A | SMECTIC PHASE FORMING INHIBITION | CHISSO CORPORATION (JP) | 1988-08-23 | — | — | US | disclosed |
| EP-0233706-A2 | Halogen-containing heterocyclic compounds and liquid crystal compositions containing them | Chisso Corporation (JP) | 1987-08-26 | — | — | EP | disclosed |