Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7952860

CC(C)(C)N[Ti+2]C1C=C(N2CCCC2)c2ccccc21.C[SiH2]C.[Cl-].[Cl-]

nearest known ligand 0.32

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 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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 SCHEMBL7951045 0.99 APAF1 (0.33) DRD2DRD4APAF1TDP2NSD2
Hydrochloric Acid SCHEMBL7949132 0.78 NPC1 (0.38) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7951023 0.77 DRD2 (0.32) DRD2DRD4APAF1TDP2NSD2
Hydrochloric Acid SCHEMBL7952814 0.76 CYP2C19 (0.39) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7949119 0.74 APAF1 (0.35) APAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7950487 0.74 GAA (0.30)
Hydrochloric Acid SCHEMBL7950423 0.74 GPR3 (0.31)
SCHEMBL7950407 0.71
Hydrochloric Acid SCHEMBL6388088 0.70 DRD2 (0.32) DRD2DRD4APAF1TDP2NSD2
Hydrochloric Acid SCHEMBL7950405 0.70 PTPN1 (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US claimed