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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
| ▸ | EP300 | Q09472 | 2/20 | 0.36 |
| ▸ | COL1A1 | P02452 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4772119 | 0.99 | ACHE (0.47) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL4117215 | 0.93 | ACHE (0.44) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL4113603 | 0.92 | ACHE (0.43) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL4109071 | 0.92 | ACHE (0.43) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL4113616 | 0.92 | ACHE (0.43) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL4114622 | 0.92 | ACHE (0.43) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| SCHEMBL4762860 | 0.91 | ACHE (0.45) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| SCHEMBL4764689 | 0.90 | ACHE (0.44) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| SCHEMBL4766979 | 0.90 | ACHE (0.44) | ACHEP2RX7CYP3A4KDM4EMAPT | |
| SCHEMBL4771916 | 0.90 | ACHE (0.44) | ACHEP2RX7CYP3A4KDM4EMAPT |
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-1896419-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006129978-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2006-12-07 | — | — | WO | disclosed |