Pantothenic Acid

Pantothenic Acid

SCHEMBL19148434

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.O

nearest known ligand 0.65

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Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

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

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.65
KCNH2 Q12809 1/20 0.65
VNN1 O95497 13/20 0.59
ECE1 P42892 4/20 0.44

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
Pantothenic Acid, Racemic SCHEMBL19148435 1.00 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL29009148 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL29206582 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL7084079 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL5437 0.98 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL21547 0.98 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL29872649 0.98 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL7016631 0.98 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL21114380 0.98 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL14126322 0.98 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217428-B Methanol hydrate crystal of D-calcium pantothenate and process for producing D-calcium pantothenate 黑龙江新和成生物科技有限公司 2024-04-02 CN disclosed
CN-116217428-A Methanol hydrate crystal of D-calcium pantothenate and process for producing D-calcium pantothenate 黑龙江新和成生物科技有限公司 2023-06-06 CN disclosed
CN-108640852-A A method of adjusting D-VB5 calcium bulk density and granularity 精晶药业股份有限公司 2018-10-12 CN disclosed
WO-2017127417-A1 PHOSPHOPANTOTHENATE COMPOUNDS PROSPERO PHARMACEUTICALS LLC (US) 2017-07-27 WO disclosed
CN-104192817-B Utilize the method for the high specific surface area and mesoporous hydroxyapatite nano particle of template synthesis HARBIN INSTITUTE OF TECHNOLOGY (CN) 2016-05-25 CN disclosed
CN-104192817-A Method for preparing mesoporous hydroxyapatite nanometer particle with high specific surface area by virtue of template method HARBIN INST OF TECHNOLOGY 2014-12-10 CN disclosed