Phenylalanine

Phenylalanine

SCHEMBL10429981

Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

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Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Phenylalanine. 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
SLC7A5 Q01650 2/20 0.63
ALPI P09923 1/20 0.63
PKM P14618 1/20 0.63
PTGS1 P23219 1/20 0.63
XIAP P98170 1/20 0.63
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
KIF11 P52732 6/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP9 P14780 1/20 0.46
CA2 P00918 1/20 0.45

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
Dl-Phenylalanine SCHEMBL28023088 1.00 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL20267856 0.99 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28341547 0.99 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL20267959 0.99 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL20267852 0.99 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL17493632 0.90 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL25434213 0.90 SLC7A5 (0.73) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL25434211 0.90 SLC7A5 (0.73) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL16485958 0.89 SLC7A5 (0.65) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL10797459 0.89 SLC7A5 (0.65) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4533506-A Resolution of amino acids YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1985-08-06 US claimed
EP-0370382-A2 Urea dipeptide derivatives with a renin-inhibiting activity, process to produce them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
US-4533506-A Resolution of amino acids YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1985-08-06 US disclosed
US-4390722-A CRYSTALLIZATION FROM SUPERSATURATED SOLUTION USING AMINO ACID AS AS CRYSTAL INHIBITOR YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1983-06-28 US disclosed