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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 4/20 | 0.47 |
| ▸ | ESR1 | P03372 | 10/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.45 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.41 |
| ▸ | OR51E2 | Q9H255 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6131748 | 0.98 | CD38 (0.49) | CD38ESR1ESR2GLO1OR51E2 | |
| SCHEMBL8424402 | 0.90 | ESR2 (0.46) | CD38ESR1ESR2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11156145 | 0.89 | ESR2 (0.47) | CD38ESR1ESR2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6131737 | 0.86 | CD38 (0.62) | CD38ESR1ESR2GLO1OR51E2 | |
| SCHEMBL6131735 | 0.84 | CD38 (0.64) | CD38ESR1ESR2GLO1 | |
| Hydrochloric Acid SCHEMBL6131741 | 0.83 | ESR1 (0.46) | CD38ESR1ESR2GLO1OR51E2 | |
| SCHEMBL7045279 | 0.82 | CD38 (0.54) | CD38ESR1ESR2GLO1CYP1A2 | |
| SCHEMBL7044449 | 0.82 | CD38 (0.54) | CD38ESR1ESR2GLO1CYP1A2 | |
| SCHEMBL6131734 | 0.81 | ESR1 (0.47) | CD38ESR1ESR2ABL1ABCB1 | |
| SCHEMBL7045086 | 0.80 | CD38 (0.79) | CD38ESR1ESR2GLO1OR51E2 |
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-1172090-B1 | Skin dyeing compositions comprising dihydroxyacetone and a flavylium salt non substituted in position 3 | OREAL (FR) | 2005-03-09 | — | — | EP | claimed |
| EP-1172093-B1 | Compositions for coloring the skin containing flavylium salt compounds unsubstituted in position 3 and an organomodified silicone | OREAL (FR) | 2004-12-01 | — | — | EP | claimed |
| EP-1172092-B1 | Compositions for coloring the skin containing at least one UV filter and flavylium salt compounds unsubstituted in position 3 | OREAL (FR) | 2004-09-15 | — | — | EP | claimed |