Tryptophan

Tryptophan

SCHEMBL11020148

C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

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
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
MPO P05164 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
MC4R P32245 2/20 0.49
MC5R P33032 1/20 0.49
MC3R P41968 1/20 0.49
GHSR Q92847 9/20 0.49
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
LTA4H P09960 1/20 0.44
PLA2G2A P14555 1/20 0.44
APAF1 O14727 1/20 0.44
POLB P06746 1/20 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
Tryptophan SCHEMBL14690776 0.97 KDM4E (0.57) MEN1KMT2AKDM4EMAPTLMNA
Tryptophan SCHEMBL18297981 0.93 KMT2A (0.61) MEN1KMT2AKDM4EMAPTLMNA
Dl-Tryptophan SCHEMBL4961509 0.93 KMT2A (0.53) MEN1KMT2AKDM4EMAPTLMNA
Tryptophan SCHEMBL4961514 0.93 KMT2A (0.53) MEN1KMT2AKDM4EMAPTLMNA
D-Tryptophan SCHEMBL14691096 0.93 KDM4E (0.53) MEN1KMT2AKDM4EMAPTLMNA
Dl-Tryptophan SCHEMBL16345061 0.91 KDM4E (0.54) MEN1KMT2AKDM4EMAPTLMNA
Tryptophan SCHEMBL14690835 0.90 KMT2A (0.57) MEN1KMT2AKDM4EMAPTLMNA
D-Tryptophan SCHEMBL14691081 0.90 KDM4E (0.49) MEN1KMT2AKDM4EMAPTLMNA
D-Tryptophan SCHEMBL15879548 0.90 KDM4E (0.49) MEN1KMT2AKDM4EMAPTLMNA
Dl-Tryptophan SCHEMBL20528098 0.89 GHSR (0.43) MEN1KMT2AKDM4EMAPTLMNA

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
EP-0146067-A2 Novel substrates for D-amino acid oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1985-06-26 EP disclosed