Histidine

Histidine

SCHEMBL2331922

C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1.NCC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Histidine. 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
NPY4R P50391 11/20 0.37
NPY1R P25929 6/20 0.37
SLC7A5 Q01650 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NPY2R P49146 4/20 0.35
NPY5R Q15761 4/20 0.35
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
Histidine SCHEMBL2330373 0.94 SLC7A5 (0.41) NPY4RNPY1RSLC7A5ITGB3ITGA2B
Arginine SCHEMBL8317787 0.91 SLC7A5 (0.40) NPY4RNPY1RSLC7A5ITGB3ITGA2B
Arginine SCHEMBL8315939 0.91 SLC7A5 (0.40) NPY4RNPY1RSLC7A5ITGB3ITGA2B
Arginine SCHEMBL8318272 0.89 ITGB3 (0.43) NPY4RNPY1RSLC7A5ITGB3ITGA2B
Histidine SCHEMBL4778276 0.88 NPY4R (0.40) NPY4RNPY1RSLC7A5ITGB3ITGA2B
SCHEMBL17363643 0.86 FNTA (0.39) NPY4RNPY1RSLC7A5ITGB3ITGA2B
Glycine SCHEMBL5579222 0.86 ITGB3 (0.45) NPY4RNPY1RSLC7A5ITGB3ITGA2B
Arginine SCHEMBL28861125 0.85 ALPI (0.41) NPY4RNPY1RSLC7A5NPY2RNPY5R
Valine SCHEMBL16992661 0.84 NPY4R (0.35) NPY4RNPY1RSLC7A5ITGB3ITGA2B
Arginine SCHEMBL21612207 0.84 OTC (0.35) NPY4RNPY1RSLC7A5NPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267736-A1 IGF-I POLY (ETHYLENE GLYCOL) CONJUGATES HOFFMANN-LA ROCHE INC. 2017-09-21 US disclosed
US-9587006-B2 IGF-I poly (ethylene glycol) conjugates HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-20120309679-A1 IGF-I POLY (ETHYLENE GLYCOL) CONJUGATES HOFFMANN-LA ROCHE INC. 2012-12-06 US disclosed
WO-2011098400-A1 IGF-I POLY (ETHYLENE GLYCOL) CONJUGATES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed