Tryptophan

Tryptophan

SCHEMBL3626370

CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.C[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.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CTSC P53634 2/20 0.39
▸ GRPR P30550 7/20 0.39
▸ ERAP2 Q6P179 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ ECE1 P42892 1/20 0.35
▸ CCKBR P32239 1/20 0.35

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 SCHEMBL3624598 0.98 MEN1 (0.42) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL9551469 0.88 KDM4E (0.53) MEN1KMT2AKDM4ELMNAMPO
Histidine SCHEMBL9646532 0.87 — —
Dl-Tryptophan SCHEMBL20857030 0.84 KMT2A (0.57) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL27789301 0.83 CTSC (0.41) MEN1KMT2AKDM4ELMNAMPO
Histidine SCHEMBL9120374 0.83 SLC7A5 (0.30) —
Dl-Tryptophan SCHEMBL28831650 0.83 CTSC (0.41) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL27649388 0.82 MEN1 (0.44) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL27169619 0.82 KMT2A (0.54) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL28689794 0.82 KDM4E (0.60) MEN1KMT2AKDM4ELMNAMPO

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-20100015058-A1 RADIOLABELED BBN-RGD HETERODIMERS FOR CANCER TARGETING STANFORD UNIVERSITY (US) 2010-01-21 — — US claimed
US-20100015058-A1 RADIOLABELED BBN-RGD HETERODIMERS FOR CANCER TARGETING STANFORD UNIVERSITY (US) 2010-01-21 — — US disclosed
Send feedback