Phosphoric Acid

Phosphoric Acid

SCHEMBL3769852

C=C(C)C(=O)NCCCNC(=O)C(=C)C.O=P(O)(O)O

nearest known ligand 0.41

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Phosphoric 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
ADRA1A known ✓ P35348 1/20 0.32
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MMP2 P08253 4/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MMP1 P03956 3/20 0.37
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
TGFBR1 P36897 1/20 0.34
PAOX Q6QHF9 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OTC P00480 1/20 0.33
ACHE P22303 1/20 0.32
MMP8 P22894 1/20 0.32
FNTA P49354 1/20 0.32

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
SCHEMBL632876 0.91 KDM4E (0.46) KDM4EMAPK1HIF1ATGFBR1PAOX
Phosphoric Acid SCHEMBL3702994 0.90 MMP2 (0.42) CA12CA1CA2CA9MMP2
SCHEMBL16309325 0.89 KDM4E (0.44) KDM4EMAPK1HIF1ATGFBR1PAOX
Phosphoric Acid SCHEMBL3771023 0.87 EPHX1 (0.52) MMP2FNTAFNTB
Phosphoric Acid SCHEMBL3463649 0.87 EPHX1 (0.52) MMP2FNTAFNTB
Phosphoric Acid SCHEMBL9949958 0.87 PAOX (0.53) CA12CA1CA2CA9MMP2
SCHEMBL907569 0.86 KDM4E (0.52) CA12CA1CA2CA9KDM4E
SCHEMBL432614 0.86 S1PR2 (0.43) CA12CA1CA2CA9MMP2
SCHEMBL24099895 0.84 KDM4E (0.41) KDM4EMAPK1HIF1ATGFBR1PAOX
SCHEMBL20319875 0.84 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851515-B2 Hydrolysis-stable self-etching single-component dental adhesive IVOCLAR VIVADENT AG (LI) 2010-12-14 US claimed
US-7851515-B2 Hydrolysis-stable self-etching single-component dental adhesive IVOCLAR VIVADENT AG (LI) 2010-12-14 US disclosed
US-20060130701-A1 Hydrolysis-stable self-etching single-component dental adhesive IVOCLAR VIVADENT AG (LI) 2006-06-22 US disclosed