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Tryptophan

Tryptophan

SCHEMBL8831012

CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.41

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
▸ PTH1R Q03431 4/20 0.41
▸ GHSR Q92847 5/20 0.41
▸ CTSC P53634 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ MDM2 Q00987 3/20 0.39
▸ MC4R P32245 2/20 0.39
▸ MC5R P33032 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38

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 SCHEMBL27444819 0.88 MEN1 (0.46) GHSRCTSCKDM4EMEN1LMNA
Dl-Tryptophan SCHEMBL27369426 0.86 MEN1 (0.43) GHSRCTSCKDM4EMEN1LMNA
Tryptophan SCHEMBL9010812 0.86 MEN1 (0.43) GHSRCTSCKDM4EMEN1LMNA
Dl-Tryptophan SCHEMBL27483196 0.85 KDM4E (0.55) CTSCKDM4EMEN1LMNAMPO
Phenylalanine SCHEMBL8207729 0.85 BACE1 (0.38) PTH1RKMT2A
Tryptophan SCHEMBL27434560 0.84 GLP1R (0.49) PTH1RGHSRKEAP1RXFP1CCKBR
Tryptophan SCHEMBL4290188 0.84 KMT2A (0.53) CTSCKDM4EMEN1LMNAMPO
Dl-Tryptophan SCHEMBL20857030 0.84 KMT2A (0.57) CTSCKDM4EMEN1LMNAMPO
Dl-Tryptophan SCHEMBL9280393 0.82 MEN1 (0.52) GHSRCTSCKDM4EMEN1LMNA
Tryptophan SCHEMBL9280401 0.82 MEN1 (0.52) GHSRCTSCKDM4EMEN1LMNA

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
EP-0631620-A4 SELECTION METHODS. WOHLSTADTER JACOB NATHANIEL (US) 1997-11-12 — — EP disclosed
EP-0631620-A1 SELECTION METHODS WOHLSTADTER, Jacob Nathaniel (US) 1995-01-04 — — EP disclosed
WO-1993019170-A1 SELECTION METHODS WOHLSTADTER JACOB NATHANIEL (US) 1993-09-30 — — WO disclosed
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