Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9065698

CC1=C(C)CC([Ti+2]NC(=O)C2CCCCCCCCCCC2)=C1.[Cl-].[Cl-]

nearest known ligand 0.41

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
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX7 Q99572 2/20 0.40
PTPN1 P18031 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.35
CETP P11597 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CCR2 P41597 1/20 0.35

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 SCHEMBL12817186 0.74 PTPN1 (0.41) LMNANPSR1P2RX7PTPN1HPGD
Hydrochloric Acid SCHEMBL2116834 0.69 NPSR1 (0.38) LMNANPSR1P2RX7PTPN1HPGD
Hydrochloric Acid SCHEMBL2116546 0.69 NPSR1 (0.38) LMNANPSR1P2RX7PTPN1HPGD
Hydrochloric Acid SCHEMBL7929379 0.68 LMNA (0.38) LMNANPSR1P2RX7PTPN1HPGD
Hydrochloric Acid SCHEMBL4588710 0.68 PTPN1 (0.38) LMNANPSR1P2RX7PTPN1HPGD
Hydrochloric Acid SCHEMBL17823015 0.67 HDAC8 (0.37) LMNANPSR1P2RX7PTPN1HPGD
SCHEMBL12218523 0.61 NPSR1 (0.96) LMNANPSR1PTPN1HPGDGAA
SCHEMBL1946708 0.60 NPSR1 (0.72) LMNANPSR1PTPN1HPGDKMT2A
SCHEMBL24618011 0.58 HDAC8 (0.61) LMNANPSR1PTPN1HPGDKMT2A
SCHEMBL6917808 0.58 HDAC8 (0.61) LMNANPSR1PTPN1HPGDKMT2A

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-5539056-A POLYPROPYLENE BLEND OF HIGH AND LOW MOLECULAR WEIGHT POLYMERS FOR HIGH STRENGTH FLEXIBLE HOSES, TUBES, AUTOMOBILE BUMPERS, GASKETS OR MEDICAL DEVICES EXXON CHEMICAL PATENTS INC. (US) 1996-07-23 US disclosed