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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL6131734 | 0.98 | ESR1 (0.47) | ESR1ESR2ARMMP3BCL2L1 | |
| SCHEMBL8424402 | 0.91 | ESR2 (0.46) | ESR1ESR2ARMMP3BCL2L1 | |
| SCHEMBL7045279 | 0.83 | CD38 (0.54) | ESR1ESR2CYP1A2HSD17B1HSD17B2 | |
| SCHEMBL7044449 | 0.83 | CD38 (0.54) | ESR1ESR2CYP1A2HSD17B1HSD17B2 | |
| Hydrochloric Acid SCHEMBL6131744 | 0.83 | CD38 (0.47) | ESR1ESR2CYP1A2HSD17B1HSD17B2 | |
| SCHEMBL29377385 | 0.82 | ALDH1A1 (0.35) | CYP1A2ALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL6131748 | 0.81 | CD38 (0.49) | ESR1ESR2CYP1A2HSD17B1HSD17B2 | |
| Hydrochloric Acid SCHEMBL6131736 | 0.81 | CD38 (0.54) | APPCD38NPC1GLO1 | |
| Hydrochloric Acid SCHEMBL11156145 | 0.80 | ESR2 (0.47) | ESR1ESR2MMP3BCL2L1CYP1A2 | |
| SCHEMBL30891532 | 0.79 | CD38 (0.55) | APPCD38NPC1GLO1 |
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 6 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 |
| US-4413004-A | FLAVYLIUM SALTS AS VASO-PROTECTIVE AGENTS | INVERNI DELLA BEFFA S.P.A. (IT) | 1983-11-01 | — | — | US | disclosed |
| US-4376781-A | FLAVYLIUM SALTS HAVING HYPOLIPEMIC ANTIINFLAMMATORY, VASO-PROTECTIVE, HYPOCHOLESTEROLEMIC AND HYPOGLYCEMIC ACTIVITY | INVERNI DELLA BEFFA S.P.A. (IT) | 1983-03-15 | — | — | US | disclosed |
| US-4258055-A | USE OF FLAVYLIUM SALTS AS CICATRIZING AGENTS | INVERNI DELLA BEFFA S.P.A. (IT) | 1981-03-24 | — | — | US | disclosed |