Sugi Predict

Sugi Predict / Compounds / Tryptophan

Tryptophan

Tryptophan

SCHEMBL28096759

CC(C)C[C@H](N)C(=O)O.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.C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.NCC(=O)O.NCCCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.46

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 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 17/20 0.46
▸ CCKBR P32239 1/20 0.43
▸ GCGR P47871 5/20 0.42
▸ CD209 Q9NNX6 1/20 0.42
▸ PTH1R Q03431 1/20 0.42
▸ GIPR P48546 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 SCHEMBL27333689 0.99 GLP1R (0.46) GLP1RCCKBRGCGRCD209PTH1R
Tryptophan SCHEMBL27635744 0.98 GLP1R (0.46) GLP1RCCKBRGCGRCD209PTH1R
Tryptophan SCHEMBL27454902 0.96 GLP1R (0.45) GLP1RCCKBRGCGRCD209
Tryptophan SCHEMBL27331432 0.96 GLP1R (0.45) GLP1RCCKBRGCGR
Tryptophan SCHEMBL27527055 0.96 GLP1R (0.45) GLP1RCCKBRGCGRPTH1R
Tryptophan SCHEMBL27505901 0.94 GLP1R (0.45) GLP1RCCKBRGCGR
Tryptophan SCHEMBL27700472 0.94 GLP1R (0.45) GLP1RCCKBRGCGR
Tryptophan SCHEMBL27508419 0.94 GLP1R (0.42) GLP1RGCGRCD209PTH1RGIPR
Tryptophan SCHEMBL27668300 0.94 GLP1R (0.46) GLP1RCCKBRGCGRPTH1R
Tryptophan SCHEMBL27511488 0.94 TUBB4A (0.43) GLP1RCCKBRGCGRCD209PTH1R

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-105893786-A Method used for researching action target of active ingredients of Periplaneta Americana and relationship between action target of active ingredients of Periplaneta Americana and disease 四川好医生攀西药业有限责任公司 2016-08-24 — — CN disclosed