Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2862429

CC1=C(c2cccc3ccccc23)c2ccccc2C1[Zr+2]1(C2C(C)=C(c3cccc4ccccc34)c3ccccc32)CC1(C)C.[Cl-].[Cl-]

nearest known ligand 0.35

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
SLC6A3 known ✓ Q01959 2/20 0.35
CHRNA1 known ✓ P02708 1/20 0.35
CHRNG known ✓ P07510 1/20 0.35
CHRNB1 known ✓ P11230 1/20 0.35
SLC6A2 known ✓ P23975 1/20 0.35
CHRND known ✓ Q07001 1/20 0.35
SLC6A4 P31645 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP2 O95551 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 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 SCHEMBL2118017 0.82 CNR1 (0.35) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8072623 0.75 ALDH1A1 (0.36) CNR1CNR2ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL7934964 0.73 ALDH1A1 (0.34) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL4068158 0.73 ALDH1A1 (0.37) SLC6A4CNR1CNR2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4094233 0.73 ALDH1A1 (0.37) CNR1CNR2ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL5951962 0.73 HPGD (0.33) SLC6A4ALDH1A1HPGDMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL8079745 0.72 ALDH1A1 (0.36) SLC6A4SLC6A3SLC6A2CNR1CNR2
Hydrochloric Acid SCHEMBL2116541 0.71 ALDH1A1 (0.35) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL820021 0.71 KDM1A (0.34) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL7996886 0.71 ALDH1A1 (0.38) CNR1CNR2ALDH1A1MAPTKDM4E

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661921-B1 Synthetic lubricating oil and lubricating oil composition thereof MITSUI CHEMICALS INC (JP) 2019-07-17 EP disclosed
US-20120135903-A1 LUBRICATING OIL COMPOSITION MITSUI CHEMICALS, INC. 2012-05-31 US disclosed
US-7795194-B2 Synthetic lubricating oil and lubricating oil composition MITSUI CHEMICALS, INC. (JP) 2010-09-14 US disclosed
US-20060116303-A1 decene-ethylene copolymer, zirconium, titanium or hafnium fluorene-containing complexes, organometallics; improved high thermal oxidation stability, viscosity index, low-temperature viscosity properties and shear stability MITSUI CHEMICALS, INC. (JP) 2006-06-01 US disclosed
EP-1661921-A1 Synthetic lubricating oil and lubricating oil composition thereof Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed