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 | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LTK | P29376 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | MST1R | Q04912 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1060974 | 0.96 | ADORA3 (0.56) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL2009428 | 0.85 | KCNH2 (0.50) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL995326 | 0.79 | LTA4H (0.55) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL15365507 | 0.79 | TDO2 (0.46) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| Tert-Butyl Formate SCHEMBL27712942 | 0.77 | ADORA3 (0.42) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| Hydrogen Sulfide SCHEMBL752785 | 0.77 | LTA4H (0.53) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL28746780 | 0.76 | TSHR (0.48) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL30187653 | 0.76 | TDO2 (0.43) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL13029774 | 0.76 | ALDH1A1 (0.44) | ADORA3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL7191737 | 0.76 | KCNH2 (0.47) | ADORA3ALDH1A1NPC1RAB9AATM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106674429-B | A kind of double activity center's composite catalyst and the cyclic olefine copolymer using its preparation | 中国石化扬子石油化工有限公司 | 2019-09-06 | — | — | CN | claimed |