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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14387172 | 0.83 | HSP90AA1 (0.48) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| SCHEMBL14075499 | 0.82 | LMNA (0.56) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| SCHEMBL10307406 | 0.81 | HSP90AA1 (0.51) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| Iodide SCHEMBL5325008 | 0.79 | HSP90AA1 (0.50) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| SCHEMBL2218131 | 0.79 | KMT2A (0.49) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| SCHEMBL5363244 | 0.78 | NPSR1 (0.49) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| SCHEMBL125796 | 0.78 | CYP2D6 (0.73) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| SCHEMBL10307404 | 0.78 | HSP90AA1 (0.59) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| Bromide SCHEMBL17906580 | 0.77 | HSP90AA1 (0.62) | KMT2AMEN1CYP2D6HSP90AA1RAD52 | |
| Hydrochloric Acid SCHEMBL9539331 | 0.77 | AKR1B1 (0.46) | CYP2D6HSP90AA1NPSR1L3MBTL1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0541604-A1 | COATING COMPOUNDS BASED ON POLYCONDENSATION AND POLYADDITION PRODUCTS CONTAINING HYDROXYL GROUPS, AND THE USE OF SUCH COMPOUNDS. | BASF LACKE & FARBEN (DE) | 1993-05-19 | — | — | EP | disclosed |
| EP-0169410-B1 | CARBAPENEMS HAVING A 2-QUATERNARY PYRIDINE ALTYLTHIO OR PYRIDINE ALKENYLTHIO SUBSTITUENT, COMPOSITIONS CONTAINING THE SAME AND COMBINATIONS WITH DHP INHIBITORS | MERCK & CO. INC. (US) | 1993-02-24 | — | — | EP | disclosed |
| EP-0169410-A1 | Carbapenems having a 2-quaternary pyridine altylthio or pyridine alkenylthio substituent, compositions containing the same and combinations with DHP inhibitors | MERCK & CO. INC. (US) | 1986-01-29 | — | — | EP | disclosed |
| EP-0168707-A1 | 1-Methylcarbapenems having a 2-quaternary heteroarylalkylthio substituent | MERCK & CO. INC. (US) | 1986-01-22 | — | — | EP | disclosed |