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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 SCHEMBL8859900 | 0.82 | PTGDR2 (0.38) | CYP2D6CYP3A4 | |
| SCHEMBL4564513 | 0.81 | CYP2D6 (0.49) | CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2 | |
| SCHEMBL6559088 | 0.79 | CYP2D6 (0.47) | CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2 | |
| Hydrochloric Acid SCHEMBL727581 | 0.78 | CA2 (0.41) | CYP2D6SMN1; SMN2ALDH1A1CA2CYP2C19 | |
| SCHEMBL28034278 | 0.74 | SMN1; SMN2 (0.50) | CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2 | |
| SCHEMBL11647740 | 0.73 | SMN1; SMN2 (0.54) | CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2 | |
| SCHEMBL9255038 | 0.73 | CYP2D6 (0.43) | CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2 | |
| SCHEMBL7649166 | 0.73 | SYK (0.47) | SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6912638 | 0.72 | SMN1; SMN2 (0.48) | CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2 | |
| Hydrochloric Acid SCHEMBL10482154 | 0.72 | SMN1; SMN2 (0.48) | CYP2D6CYP3A4SMN1; SMN2ALDH1A1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5703183-A | POLYMERIZATION CATALYSTS | EXXON CHEMICAL PATENTS INC. (US) | 1997-12-30 | — | — | US | disclosed |