Tetrahydrofolate

Tetrahydrofolate

SCHEMBL1890563

Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc1)CN2.[Ca+2]

nearest known ligand 0.77

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.77
▸ FPGS Q05932 2/20 0.76
▸ LMNA P02545 1/20 0.68
▸ GART P22102 5/20 0.57
▸ DHFR P00374 1/20 0.52
▸ ATIC P31939 2/20 0.50
▸ MTHFD1 P11586 2/20 0.48
▸ TYMS P04818 1/20 0.48
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ MTHFD2 P13995 2/20 0.44

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
Tetrahydrofolate SCHEMBL19376768 1.00 SOST (0.77) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL19376763 0.98 SOST (0.77) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL8078004 0.94 SOST (0.87) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL21248602 0.93 SOST (0.87) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL31346753 0.93 SOST (0.87) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL31346752 0.93 SOST (0.87) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL27678337 0.93 SOST (0.87) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL31171826 0.92 SOST (0.82) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL29067339 0.92 SOST (0.84) SOSTFPGSLMNAGARTDHFR
Tetrahydrofolate SCHEMBL4409552 0.91 SOST (0.83) SOSTFPGSLMNAGARTDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245032-B1 FOLATES, COMPOSITIONS AND USES THEREOF GNOSIS SPA (IT) 2015-03-25 — — EP disclosed
US-7947662-B2 Folates, compositions and uses thereof GNOSIS S.P.A. (IT) 2011-05-24 — — US disclosed
US-20090209543-A1 FOLATES, COMPOSITIONS AND USES THEREOF GNOSIS S.P.A. (IT) 2009-08-20 — — US disclosed
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