Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15512412

Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Ru+2]=C2C=C(c3ccccc3)c3ccccc32)c(C)c1.[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
PTPN1 P18031 2/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32
CDC25B P30305 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
PSMB5 P28074 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 SCHEMBL1277232 0.87
SCHEMBL19547128 0.76 PSMB5 (0.34) PTPN1PTPRCPTPRFCDC25BLMNA
Hydrochloric Acid SCHEMBL15512413 0.75 PSMB5 (0.33) PTPN1PTPRCPTPRFCDC25BLMNA
SCHEMBL15512414 0.72 PSMB5 (0.32) PTPN1PTPRCPTPRFCDC25BPSMB5
SCHEMBL4454087 0.66
SCHEMBL1316463 0.64 KDR (0.52) PSMB5
SCHEMBL27925078 0.64 PSMB5 (0.33) PTPN1PTPRCPTPRFCDC25BLMNA
Hydrochloric Acid SCHEMBL19285070 0.63 PSMB5 (0.32) PTPN1PTPRCPTPRFCDC25BLMNA
Hydrochloric Acid SCHEMBL4278507 0.63 PSMB5 (0.32) PTPN1PTPRCPTPRFCDC25BLMNA
SCHEMBL29788366 0.63 KDR (0.51) PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669330-B2 Olefin triblock polymers via ring-opening metathesis polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-11 US claimed
US-20160289352-A1 Functionalized Resins for High Performance Tires EXXONMOBIL CHEMICAL PATENTS INC. 2016-10-06 US disclosed