Pantothenic Acid, Racemic

Pantothenic Acid, Racemic

SCHEMBL28332288

CC(C)(CO)C(O)C(=O)NCCC(=O)O.O=S(=O)(O)O.[CaH2].[Zn]

nearest known ligand 0.56

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Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
KCNH2 Q12809 1/20 0.56
VNN1 O95497 13/20 0.53
ECE1 P42892 3/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.35

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 SCHEMBL27275744 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL28147773 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL20592074 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL34429 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL593558 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1ZDHHC20
Pantothenic Acid, Racemic SCHEMBL27989847 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1ZDHHC20
Pantothenic Acid SCHEMBL5310119 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL2455676 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL888199 0.92 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL27637353 0.91 PTGS1 (0.59) PTGS1KCNH2VNN1ECE1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110367547-A A kind of condensed whey yak milk albumen powder and preparation method thereof suitable for pregnant woman 北京雪域圣肽生物科技有限公司 2019-10-25 CN claimed