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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | VEGFA | P15692 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
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 SCHEMBL11536275 | 0.88 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AALOX12CYP1A2 | |
| Hydrochloric Acid SCHEMBL11536397 | 0.88 | DBH (0.39) | ALDH1A1MEN1KMT2AALOX12CYP1A2 | |
| SCHEMBL11539144 | 0.86 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AALOX12CYP1A2 | |
| Hydrochloric Acid SCHEMBL11537907 | 0.86 | LMNA (0.43) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL11533873 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP2D6HTTSMN1; SMN2KDM4E | |
| Bromide SCHEMBL11537786 | 0.83 | HDAC8 (0.43) | HTTSMN1; SMN2LMNAKDM4ECYP11B1 | |
| Bromide SCHEMBL11535506 | 0.83 | MAPT (0.41) | ALDH1A1MEN1KMT2AHTTSMN1; SMN2 | |
| Bromide SCHEMBL11536301 | 0.82 | SIGMAR1 (0.44) | ALDH1A1MEN1KMT2AALOX12CYP1A2 | |
| Bromide SCHEMBL11537226 | 0.82 | DBH (0.46) | ALDH1A1MEN1KMT2AHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11540582 | 0.82 | LMNA (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19HTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4097598-A | Quaternary salts as hypoglycemic agents | PFIZER INC. (US) | 1978-06-27 | — | — | US | claimed |
| US-4163745-A | ANTIDIABETIC, HYPOGLYCEMIC | PFIZER INC. (US) | 1979-08-07 | — | — | US | disclosed |
| US-4141898-A | Imidazo pyridinium quaternary salts as hypoglycemic agents | PFIZER INC. (US) | 1979-02-27 | — | — | US | disclosed |
| US-4129567-A | IMIDAZOPYRIDINES AND ISOB IDINE | PFIZER INC. (US) | 1978-12-12 | — | — | US | disclosed |
| US-4097598-A | Quaternary salts as hypoglycemic agents | PFIZER INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4093616-A | PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS | PFIZER INC. (US) | 1978-06-06 | — | — | US | disclosed |
| US-4044015-A | Imidazopyridinium compounds as hypoglycemic agents | PFIZER INC. (US) | 1977-08-23 | — | — | US | disclosed |