Tryptophan

Tryptophan

SCHEMBL18171551

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

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
▸ CTSC P53634 3/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ PMP22 Q01453 2/20 0.53
▸ MPO P05164 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MMP1 P03956 2/20 0.43
▸ APAF1 O14727 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ KISS1R Q969F8 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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 SCHEMBL28221613 1.00 CTSC (0.54) CTSCKMT2AKDM4EMAPTMEN1
Tryptophan SCHEMBL6246810 0.93 CTSC (0.54) CTSCKMT2AKDM4EMAPTMEN1
Tryptophan SCHEMBL6247563 0.91 CTSC (0.52) CTSCKMT2AKDM4EMAPTMEN1
Tryptophan SCHEMBL6244660 0.91 CTSC (0.52) CTSCKMT2AKDM4EMAPTMEN1
Tryptophan SCHEMBL8898168 0.91 KDM4E (0.58) KMT2AKDM4EMAPTMEN1LMNA
Dl-Tryptophan SCHEMBL8898162 0.91 KDM4E (0.58) KMT2AKDM4EMAPTMEN1LMNA
Tryptophan SCHEMBL9218670 0.91 KDM4E (0.58) KMT2AKDM4EMAPTMEN1LMNA
Dl-Tryptophan SCHEMBL9218663 0.91 KDM4E (0.58) KMT2AKDM4EMAPTMEN1LMNA
Tryptophan SCHEMBL2525328 0.90 KDM4E (0.57) KMT2AKDM4EMAPTMEN1LMNA
Tryptophan SCHEMBL18171550 0.90 CTSC (0.47) CTSCKMT2AKDM4EMAPTMEN1

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
US-20180141974-A1 PENTAPEPTIDE ASSOCIATED WITH INTEGRIN RECEPTOR ALPHA VBETA3 CHINA PHARMACEUTICAL UNIVERSITY (CN) 2018-05-24 — — US disclosed
WO-2016169239-A1 5 PEPTIDE RELATED WITH INTEGRIN RECEPTOR ΑVΒ3 中国药科大学 2016-10-27 — — WO disclosed
CN-104774247-A Integrin receptor alpha-v-beta-3 related 5-peptide UNIV CHINA PHARMA 2015-07-15 — — CN disclosed
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