Dihydrolipoic Acid

Dihydrolipoic Acid

SCHEMBL4094129

O=C(O)CCCCC(S)CCS.O=C(O)CCCCC(S)CCS.O=C([O-])CCCCC(S)CCS.O=C([O-])CCCCC(S)CCS.O=C([O-])CCCCC(S)CCS.O=C([O-])CCCCC(S)CCS.O=C([O-])CCCCC(S)CCS.O=C([O-])CCCCC(S)CCS.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Dihydrolipoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.46
FOLH1 Q04609 5/20 0.45
ENPEP Q07075 4/20 0.44
ANPEP P15144 1/20 0.39
NFKB1 P19838 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
Dihydrolipoic Acid SCHEMBL718014 0.93 NFKB1 (0.43) GSTK1FOLH1ENPEPNFKB1
Dihydrolipoic Acid SCHEMBL5827361 0.89 NFKB1 (0.39) GSTK1FOLH1ENPEPNFKB1
Dihydrolipoic Acid SCHEMBL2582100 0.89 NFKB1 (0.39) GSTK1FOLH1ENPEPNFKB1
Dihydrolipoic Acid SCHEMBL1659440 0.89 NFKB1 (0.39) GSTK1ENPEPNFKB1
Dihydrolipoic Acid SCHEMBL1115003 0.89 FOLH1 (0.56) GSTK1FOLH1ENPEPANPEPNFKB1
Dihydrolipoic Acid SCHEMBL19773 0.89 FOLH1 (0.56) GSTK1FOLH1ENPEPANPEPNFKB1
Dihydrolipoic Acid SCHEMBL618576 0.89 FOLH1 (0.56) GSTK1FOLH1ENPEPANPEPNFKB1
Dihydrolipoic Acid SCHEMBL867951 0.89 FOLH1 (0.56) GSTK1FOLH1ENPEPANPEPNFKB1
Dihydrolipoic Acid SCHEMBL4761909 0.87 NFKB1 (0.38) GSTK1FOLH1ENPEPNFKB1
SCHEMBL21611884 0.87 GSTK1 (0.57) GSTK1FOLH1ENPEPANPEPNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271913-B2 Structured depilatory compositions JOHNSON & JOHNSON CONSUMER INC. (US) 2016-03-01 US disclosed
US-8623344-B2 Structured depilatory compositions MCNEIL-PPC, INC. (US) 2014-01-07 US disclosed
EP-2011544-A2 Structured Depilatory Compositions McNeil-PPC, Inc. (US) 2009-01-07 EP disclosed
US-20090005462-A1 STRUCTURED DEPILATORY COMPOSITIONS APPLIED OPTOELECTRONICS INC 2009-01-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090005462-A1 STRUCTURED DEPILATORY COMPOSITIONS PSAP, HDAC6, MPO GSTK1 992/4885FOLH1 2952/4885ENPEP 1929/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.