Carnitine

Carnitine

SCHEMBL791490

C[N+](C)(C)CC(O)CC(=O)[O-].Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.61
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
MEN1 O00255 1/20 0.37

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
Levocarnitine SCHEMBL4523560 0.82 SLC22A16 (0.83) SLC22A16CPT2CPT1AMAPTCYP1A2
Carnitine SCHEMBL3680647 0.82 SLC22A16 (0.83) SLC22A16CPT2CPT1AMAPTCYP1A2
SCHEMBL2149905 0.81 ALDH1A1 (0.43) MAPTALDH1A1KDM4ELMNAHTT
Levocarnitine SCHEMBL5082345 0.80 SLC22A16 (0.80) SLC22A16CPT2CPT1AMAPTCYP1A2
Carnitine SCHEMBL5712407 0.80 SLC22A16 (0.80) SLC22A16CPT2CPT1AMAPTCYP1A2
Glycinebetaine SCHEMBL6568624 0.79 ALDH1A1 (0.44) MAPTALDH1A1KDM4ELMNAHTT
Glycerin SCHEMBL3630101 0.79 ALDH1A1 (0.46) MAPTALDH1A1KDM4ELMNAHTT
Glycerin SCHEMBL28301031 0.79 ALDH1A1 (0.46) MAPTALDH1A1KDM4ELMNAHTT
Glycerin SCHEMBL2058190 0.79 ALDH1A1 (0.46) MAPTALDH1A1KDM4ELMNAHTT
Carnitine SCHEMBL28474008 0.78 SLC22A16 (0.56) SLC22A16CPT2CPT1AMAPTLMNA

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
WO-2012035364-A1 STABILIZED SOLUTION OF ORTHO-SILICIC ACID, ITS PREPARATION AND USE CREOGEN D.O.O. (HR) 2012-03-22 WO disclosed