Pantothenic Acid

Pantothenic Acid

SCHEMBL8044584

CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].[Ca+2].[P]

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 10)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.61
KCNH2 Q12809 1/20 0.61
VNN1 O95497 13/20 0.53
BBOX1 O75936 1/20 0.34
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ZDHHC20 Q5W0Z9 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
Pantothenic Acid SCHEMBL2455674 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL2455672 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL29355079 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL34428 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL34427 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL30553124 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL7084077 0.97 PTGS1 (0.61) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL11750098 0.97 PTGS1 (0.61) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL11750103 0.97 PTGS1 (0.61) PTGS1KCNH2VNN1BBOX1MEN1
Pantothenic Acid SCHEMBL7084078 0.97 PTGS1 (0.61) PTGS1KCNH2VNN1BBOX1MEN1

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-6039978-A HOMOGENOUS FREE-FLOWING POWDER FOOD ENHANCING AGENT WITH CALCIUM, MAGNESIUM PHOSPHOROUS USING DICALCIUM PHOSPHATE, CALCIUM CITRATE AND MAGNESIUM PHOSPHATE CAMPBELL SOUP COMPANY (US) 2000-03-21 US disclosed
US-6039989-A PREPACKAGED THERAPUTIC MEALS FOR DIETS CAMPBELL SOUP COMPANY (US) 2000-03-21 US disclosed
US-5994295-A ADMINISTERING PREPACKAGED MEALS CAMPBELL SOUP COMPANY (US) 1999-11-30 US disclosed
US-5977059-A THERAPY FOR DIET RESPONSIVE CONDITIONS CAMPBELL SOUP COMPANY (US) 1999-11-02 US disclosed