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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 8/20 | 0.82 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.82 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8504380 | 0.91 | CXCR4 (0.82) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| Hydrochloric Acid SCHEMBL152762 | 0.91 | CXCR4 (0.82) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| Hydrochloric Acid SCHEMBL30641652 | 0.91 | CXCR4 (0.82) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| Hydrochloric Acid SCHEMBL8501945 | 0.91 | CXCR4 (0.82) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| Hydrochloric Acid SCHEMBL8502474 | 0.91 | CXCR4 (0.82) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| Hydrochloric Acid SCHEMBL7864264 | 0.91 | CXCR4 (0.82) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| SCHEMBL576838 | 0.91 | CXCR4 (1.00) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| SCHEMBL9947670 | 0.91 | CXCR4 (1.00) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| SCHEMBL8503965 | 0.91 | CXCR4 (1.00) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| SCHEMBL577659 | 0.91 | CXCR4 (1.00) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729938-B1 | A method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS INC (JP) | 2001-09-05 | — | — | EP | disclosed |
| US-6028193-A | CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR | MITSUI CHEMICALS, INC. (JP) | 2000-02-22 | — | — | US | disclosed |
| US-5945572-A | Method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS, INC. (JP) | 1999-08-31 | — | — | US | disclosed |
| US-5847227-A | Method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0729938-A2 | A method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |