Tryptophan

Tryptophan

SCHEMBL27622251

N=C(N)NCCC[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.68

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Known targets — ChEMBL curated mechanism

ACE

The experimentally established mechanism targets of Tryptophan. 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
▸ KDM4E B2RXH2 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ LMNA P02545 2/20 0.68
▸ TSHR P16473 2/20 0.68
▸ BLM P54132 2/20 0.68
▸ PMP22 Q01453 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ MPO P05164 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49

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-Tryptophan SCHEMBL27136864 1.00 KDM4E (0.68) KDM4EMAPTKMT2ALMNATSHR
Tryptophan SCHEMBL530950 1.00 KDM4E (0.68) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL1533586 1.00 KDM4E (0.68) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL28518234 1.00 KDM4E (0.68) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL28798150 1.00 KDM4E (0.68) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL28512622 1.00 KDM4E (0.68) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL20164946 1.00 KDM4E (0.68) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL27660745 0.96 KMT2A (0.63) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL28130701 0.96 KDM4E (0.63) KDM4EMAPTKMT2ALMNATSHR
Tryptophan SCHEMBL6274044 0.95 KDM4E (0.61) KDM4EMAPTKMT2ALMNATSHR

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
CN-1787831-A Method for preventing mitochondrial permeability transition CORNELL RES FOUNDATION INC (US) 2006-06-14 — — CN disclosed
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