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 | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.92 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | GFER | P55789 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | TERT | O14746 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350181 | 0.96 | S100B (1.00) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL34104 | 0.96 | S100B (1.00) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL2136137 | 0.94 | S100B (0.96) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL3385174 | 0.94 | S100B (0.96) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| Hypochlorous Acid SCHEMBL6550511 | 0.91 | S100B (0.89) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL9405180 | 0.89 | S100B (0.86) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL11579110 | 0.89 | S100B (0.86) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL33702 | 0.89 | S100B (0.85) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL29381855 | 0.89 | S100B (0.85) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL11220218 | 0.87 | S100B (0.83) | S100BALDH1A1CYP3A4MAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105440760-A | Water-proofing agent for use in airport runways | YANTAI SHUNLONG CHEMICAL TECH CO LTD | 2016-03-30 | — | — | CN | disclosed |
| CN-104651085-A | Detergent for lead-polluted building wastes | YANTAI SHUNLONG CHEMICAL ENGINEERING CO LTD | 2015-05-27 | — | — | CN | disclosed |