Pantothenic Acid

Pantothenic Acid

SCHEMBL8428189

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

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
KCNH2 Q12809 1/20 0.61
VNN1 O95497 13/20 0.57
ECE1 P42892 3/20 0.41
NPSR1 Q6W5P4 1/20 0.33

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 SCHEMBL29506778 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL19031708 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL27577879 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL28456165 0.98 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL27903324 0.97 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL124922 0.97 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL8506535 0.97 PTGS1 (0.65) PTGS1KCNH2VNN1ECE1
Pantothenic Acid, Racemic SCHEMBL9113975 0.95 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL5295620 0.95 PTGS1 (0.63) PTGS1KCNH2VNN1ECE1
Pantothenic Acid SCHEMBL5436 0.95 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968788-A CULTURING CANDIDA FAMATA, CANDIDA GUILLIERMONDII, YARROWIA LIPOLYTICA, PICHIA GLUCOZYMA, OR SACCHAROMYCES CEREVISIAE IN MEDIUM WITH GLUCOSE, FRUCTOSE, SUCROSE, OR MALTOSE; RECOVERING AT LEAST 0.3 MILLIGRAMS FOLIC ACID PER LITER MEDIA TORAY INDUSTRIES, INC. (JP) 1999-10-19 US disclosed