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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29902133 | 0.80 | LMNA (0.59) | AKR1B1CYP2D6NAPRTNPSR1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL17907273 | 0.80 | LMNA (0.59) | AKR1B1CYP2D6NAPRTNPSR1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9536830 | 0.77 | KMT2A (0.49) | CYP2D6NAPRTNPSR1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL11510418 | 0.77 | NPSR1 (0.58) | AKR1B1CYP2D6NPSR1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL7858688 | 0.76 | CYP2D6 (0.39) | CYP2D6ANPEP | |
| Hydrochloric Acid SCHEMBL7852968 | 0.74 | FDPS (0.52) | CYP2D6NPSR1L3MBTL1LMNAHSP90AA1 | |
| Hydrochloric Acid SCHEMBL8386510 | 0.73 | FDPS (0.47) | CYP2D6LMNAANPEP | |
| SCHEMBL8389076 | 0.71 | FDPS (0.44) | CYP2D6ANPEP | |
| SCHEMBL6179185 | 0.70 | AKR1B1 (0.54) | AKR1B1NAPRTL3MBTL1LMNAABCC4 | |
| SCHEMBL9477876 | 0.70 | AKR1B1 (0.54) | AKR1B1NAPRTNPSR1L3MBTL1LMNA |
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-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 |