Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7935531

CC1=C([Zr+2](C2=C(C)C=C(c3cccc4ccccc34)C2)=[Si](C)C)CC(c2cccc3ccccc23)=C1.[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 1/20 0.35
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 1/20 0.33
BRD4 O60885 1/20 0.32
DHFR P00374 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALPL P05186 1/20 0.31
GAA P10253 1/20 0.31
PARP1 P09874 1/20 0.31
ENPP3 O14638 1/20 0.31

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 SCHEMBL7936775 0.87 ALDH1A1 (0.33) SLC6A3PTPN1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL7933251 0.85 SLC6A3 (0.33) SLC6A3PTPN1ALDH1A1HPGDNISCH
Hydrochloric Acid SCHEMBL7938840 0.75 BRD4 (0.37) SLC6A3PTPN1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL27520985 0.74 SLC6A3 (0.38) SLC6A3PTPN1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL27522516 0.74 SLC6A3 (0.38) SLC6A3PTPN1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL7935534 0.72 PTPN1 (0.34) PTPN1ALDH1A1HPGDNISCHCYP2A6
Hydrochloric Acid SCHEMBL7936012 0.71 SLC6A3 (0.33) SLC6A3PTPN1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL7936662 0.69 SLC6A3 (0.33) SLC6A3PTPN1ALDH1A1HPGDNISCH
Hydrochloric Acid SCHEMBL7935497 0.69 SLC6A3 (0.35) SLC6A3PTPN1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL7938977 0.68 SLC6A3 (0.36) SLC6A3PTPN1ALDH1A1HPGDMAPT

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-6184402-B1 RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES CHISSO CORPORATION (JP) 2001-02-06 US disclosed