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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 known ✓ | P30411 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL9525660 | 0.97 | KDM4E (0.39) | KDM4EMAPTSMN1; SMN2HRH3BDKRB2 | |
| Hydrochloric Acid SCHEMBL9525058 | 0.92 | SPHK1 (0.39) | KDM4EBDKRB2CTSKSPHK1 | |
| Hydrochloric Acid SCHEMBL9525732 | 0.87 | SMN1; SMN2 (0.41) | KDM4EMAPTSMN1; SMN2CTSKMEN1 | |
| Hydrochloric Acid SCHEMBL9525276 | 0.86 | MEN1 (0.38) | KDM4EMAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL9525837 | 0.84 | MAPT (0.48) | KDM4EMAPTSMN1; SMN2HRH3HRH4 | |
| Hydrochloric Acid SCHEMBL9525965 | 0.84 | KDM4E (0.39) | KDM4EMAPTSMN1; SMN2CTSKMEN1 | |
| Iodide SCHEMBL9407506 | 0.82 | MAPT (0.39) | KDM4EMAPTSMN1; SMN2CTSKMEN1 | |
| SCHEMBL9525184 | 0.82 | MAPT (0.51) | KDM4EMAPTSMN1; SMN2HRH3HRH4 | |
| Hydrochloric Acid SCHEMBL9528487 | 0.81 | KDM4E (0.41) | KDM4EMAPTSMN1; SMN2CTSKMEN1 | |
| Hydrochloric Acid SCHEMBL9524118 | 0.77 | ALDH1A1 (0.39) | KDM4EMAPTSMN1; SMN2CTSKMEN1 |
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 |