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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 SCHEMBL6904017 | 0.92 | CYP3A4 (0.37) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL6904132 | 0.89 | CYP3A4 (0.39) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL6903073 | 0.87 | CYP3A4 (0.33) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL6905100 | 0.86 | DGAT1 (0.33) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL7733570 | 0.86 | CYP3A4 (0.33) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL6902696 | 0.85 | PDK2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6903825 | 0.84 | SMN1; SMN2 (0.32) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL6897160 | 0.83 | CCR1 (0.33) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL6895496 | 0.83 | DHFR (0.35) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL6899130 | 0.83 | CYP3A4 (0.30) | CYP3A4CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1033371-B1 | Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2004-01-28 | — | — | EP | claimed |
| US-6458982-B1 | CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. | TARGOR GMBH (DE) | 2002-10-01 | — | — | US | disclosed |