Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3698487

CCOc1ccccc1C=[Ru+2]=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C.[Cl-].[Cl-]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
BACE1 P56817 1/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR3 P51677 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
AR P10275 1/20 0.33

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL16390544 0.85 NPC1 (0.36) ALDH1A1MAPTL3MBTL1RAB9ACYP1A2
Hydrochloric Acid SCHEMBL3703679 0.83 AR (0.33) ALDH1A1MAPTTP53AR
Hydrochloric Acid SCHEMBL16177155 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL3698492 0.80 ALDH1A1 (0.38) ALDH1A1MAPTHPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL16177156 0.78 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL15612707 0.78 HPGD (0.33) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL3698490 0.77 ALDH1A1 (0.38) ALDH1A1MAPTHPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL16390253 0.76 HPGD (0.36) ALDH1A1MAPTHPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL3670743 0.75 CRHR1 (0.33) ALDH1A1MAPTL3MBTL1RAB9AMEN1
SCHEMBL16086160 0.74 ALDH1A1 (0.36) ALDH1A1MAPTHPGDKDM4EHSD17B10

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070964-B9 PROCESS FOR PRODUCTION OF HYDROGENATED POLYMERS AND HYDROGENATED POLYMERS KURARAY CO (JP) 2012-10-31 EP disclosed
EP-2070964-B1 PROCESS FOR PRODUCTION OF HYDROGENATED POLYMERS AND HYDROGENATED POLYMERS KURARAY CO (JP) 2012-05-16 EP disclosed
EP-2070964-A1 PROCESS FOR PRODUCTION OF HYDROGENATED POLYMERS AND HYDROGENATED POLYMERS Kuraray Co., Ltd. (JP) 2009-06-17 EP disclosed