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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM6B | O15054 | 1/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9526189 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9524484 | 0.92 | ALDH1A1 (0.39) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9525020 | 0.92 | ALDH1A1 (0.39) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9525737 | 0.92 | ALDH1A1 (0.44) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| SCHEMBL9525126 | 0.91 | ALDH1A1 (0.40) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9525472 | 0.91 | ALDH1A1 (0.38) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9524164 | 0.90 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9525936 | 0.89 | ALDH1A1 (0.38) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9523912 | 0.89 | ALDH1A1 (0.39) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9524109 | 0.89 | ALDH1A1 (0.39) | ALDH1A1HPGDEPHX1KDM4EKMT2A |
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 2 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 |