Pantothenic Acid, Racemic

Pantothenic Acid, Racemic

SCHEMBL1835339

CC(C)(CO)C(O)C(=O)NCCC(=O)O.NCCO

nearest known ligand 0.62

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Known targets — ChEMBL curated mechanism

MPL

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 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
KCNH2 Q12809 1/20 0.62
VNN1 O95497 13/20 0.54
ECE1 P42892 3/20 0.41
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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 SCHEMBL1261506 0.94 PTGS1 (0.58) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL1261508 0.94 PTGS1 (0.58) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL5437 0.92 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL7016631 0.92 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL29872649 0.92 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL21547 0.92 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL14126322 0.92 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL5436 0.92 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL21114380 0.92 PTGS1 (0.67) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL27836313 0.91 PTGS1 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed