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 | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KLK8 | O60259 | 2/20 | 0.46 |
| ▸ | PLAU | P00749 | 2/20 | 0.46 |
| ▸ | KLK2 | P20151 | 2/20 | 0.46 |
| ▸ | KLK4 | Q9Y5K2 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8370393 | 0.96 | SRC (0.52) | SRCL3MBTL1TDP1KLK8PLAU | |
| SCHEMBL2595713 | 0.94 | SRC (0.54) | SRCL3MBTL1TDP1KLK8PLAU | |
| SCHEMBL8690451 | 0.88 | SRC (0.45) | SRCL3MBTL1TDP1KLK8PLAU | |
| SCHEMBL1822019 | 0.87 | SRC (0.56) | SRCL3MBTL1TDP1KLK8PLAU | |
| SCHEMBL4453721 | 0.86 | SRC (0.48) | SRCL3MBTL1TDP1KLK8PLAU | |
| SCHEMBL28670781 | 0.86 | KLK8 (0.47) | SRCL3MBTL1TDP1KLK8PLAU | |
| SCHEMBL10632904 | 0.86 | CETP (0.49) | L3MBTL1 | |
| SCHEMBL23650048 | 0.85 | CETP (0.51) | — | |
| SCHEMBL12564833 | 0.85 | CETP (0.51) | — | |
| SCHEMBL3219961 | 0.85 | CETP (0.51) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0791589-B1 | 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2002-03-06 | — | — | EP | disclosed |
| US-5789436-A | ARTERIOSCLEROSIS; INHIBITORS OF OXIDATION OF LOW DENSITY LIPOPROTEINS; | CHUGAI SEIYAK KABUSHIKI KAISHA (JP) | 1998-08-04 | — | — | US | disclosed |
| EP-0791589-A1 | 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1997-08-27 | — | — | EP | disclosed |