Tryptophan

Tryptophan

SCHEMBL2525328

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

nearest known ligand 0.57

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
▸ KDM4E B2RXH2 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ ACHE P22303 10/20 0.43
▸ BCHE P06276 9/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KRAS P01116 1/20 0.42
▸ SOS1 Q07889 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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 SCHEMBL8898168 0.95 KDM4E (0.58) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL8898162 0.95 KDM4E (0.58) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL29176788 0.95 KDM4E (0.58) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL9218663 0.95 KDM4E (0.58) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL27137424 0.95 KDM4E (0.58) KDM4EMAPTLMNATSHRBLM
Tryptophan SCHEMBL9218670 0.95 KDM4E (0.58) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL28130701 0.95 KDM4E (0.63) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL28861116 0.92 KMT2A (0.58) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL28131402 0.92 KMT2A (0.58) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL1533586 0.92 KDM4E (0.68) KDM4EMAPTLMNATSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9068231-B2 Method for screening cancer therapeutic agent using galectin-3, GSK-3β, and fascin-1 NATIONAL CANCER CENTER (KR) 2015-06-30 — — US disclosed
US-20110250584-A1 Method for Screening Cancer Therapeutic Agent Using Galectin-3, GSK-3Betta, and Fascin-1 NATIONAL CANCER CENTER (KR) 2011-10-13 — — US disclosed
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