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 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 6/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10401452 | 0.99 | ALDH1A1 (0.41) | ALDH1A1HPGDTAOK1POLBKDM4E | |
| Iodide SCHEMBL9525393 | 0.98 | ALDH1A1 (0.41) | ALDH1A1HPGDTAOK1POLBKDM4E | |
| Hydrochloric Acid SCHEMBL9524106 | 0.90 | ALDH1A1 (0.40) | ALDH1A1HPGDTAOK1POLBTRPV1 | |
| Hydrochloric Acid SCHEMBL9524176 | 0.89 | ALDH1A1 (0.42) | ALDH1A1HPGDTAOK1KDM4EEPHX1 | |
| Hydrochloric Acid SCHEMBL9525744 | 0.89 | ALDH1A1 (0.44) | ALDH1A1HPGDTAOK1POLBKDM4E | |
| Iodide SCHEMBL9525399 | 0.88 | ALDH1A1 (0.42) | ALDH1A1HPGDTAOK1KDM4EEPHX1 | |
| Hydrochloric Acid SCHEMBL9528303 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HPGDTAOK1POLBKDM4E | |
| Hydrochloric Acid SCHEMBL9524807 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HPGDTAOK1POLBKDM4E | |
| Hydrochloric Acid SCHEMBL9524118 | 0.83 | ALDH1A1 (0.39) | ALDH1A1HPGDTAOK1POLBKDM4E | |
| SCHEMBL9526051 | 0.83 | MEN1 (0.44) | ALDH1A1HPGDPOLBKDM4ETRPV1 |
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-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |