Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7951045

CC(C)(C)N[Ti+2]C1C=C(N2CCCCC2)c2ccccc21.C[SiH2]C.[Cl-].[Cl-]

nearest known ligand 0.33

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 17)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
KLF5 Q13887 1/20 0.30
SMN1; SMN2 Q16637 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 SCHEMBL7952860 0.99 DRD2 (0.32) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL7952814 0.78 CYP2C19 (0.39) ALDH1A1MAPTTSHRHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7949132 0.77 NPC1 (0.38) ALDH1A1MAPTTSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL7951023 0.76 DRD2 (0.32) APAF1TDP2NSD2HKDC1DRD2
Hydrochloric Acid SCHEMBL7949119 0.73 APAF1 (0.35) APAF1ALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL7950423 0.73 GPR3 (0.31)
Hydrochloric Acid SCHEMBL7950487 0.73 GAA (0.30)
Hydrochloric Acid SCHEMBL6864767 0.71 TSHR (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL6851450 0.71 TSHR (0.33) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6907620 0.70 TSHR (0.35) APAF1TDP2NSD2HKDC1ALDH1A1

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