Demannose

Demannose

SCHEMBL5163477

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.O=C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.66
NT5E P21589 1/20 0.61
KRAS P01116 6/20 0.61
FUT5 Q11128 1/20 0.60
P2RY6 Q15077 2/20 0.59
P2RY2 P41231 1/20 0.59
P2RY4 P51582 1/20 0.59
IMPDH2 P12268 4/20 0.57
P2RX3 P56373 2/20 0.55
IMPDH1 P20839 1/20 0.55
DCPS Q96C86 1/20 0.55
ENPP1 P22413 2/20 0.54
P2RY1 P47900 2/20 0.54
P2RY12 Q9H244 1/20 0.54
P2RX1 P51575 1/20 0.54
P2RY11 Q96G91 1/20 0.54
P2RX4 Q99571 1/20 0.54

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
Demannose SCHEMBL2182862 1.00 TGM2 (0.66) TGM2NT5EKRASFUT5P2RY6
Galactose SCHEMBL6046113 1.00 TGM2 (0.66) TGM2NT5EKRASFUT5P2RY6
Demannose SCHEMBL20746287 1.00 TGM2 (0.66) TGM2NT5EKRASFUT5P2RY6
Demannose SCHEMBL4290630 1.00 TGM2 (0.66) TGM2NT5EKRASFUT5P2RY6
Xylose SCHEMBL1422097 0.98 TGM2 (0.67) TGM2NT5EKRASFUT5P2RY6
Guanosine Triphosphate SCHEMBL27608840 0.97 TGM2 (0.66) TGM2NT5EKRASFUT5P2RY6
Guanosine Triphosphate SCHEMBL29280175 0.95 TGM2 (0.68) TGM2NT5EKRASFUT5P2RY6
Guanosine Triphosphate SCHEMBL28337848 0.93 TGM2 (0.60) TGM2NT5EKRASFUT5P2RY6
L-Fucose SCHEMBL18992533 0.92 TGM2 (0.67) TGM2NT5EKRASFUT5P2RY6
L-Fucose SCHEMBL20607674 0.92 TGM2 (0.67) TGM2NT5EKRASFUT5P2RY6

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
EP-0886640-B1 SIALYL-LEWISa AND SIALYL-LEWISx EPITOPE ANALOGUES GLYCOMIMETICS INC (US) 2007-03-21 EP disclosed
US-6169077-B1 A SIALYLATED AND FUCOSYLATED CARBOHYDRATE; USE AS ANTIADHESION THERAPEUTICS TREATING INFLAMMATIONS, THEY CAN PREVENT THE SELECTIN RECEPTORS FROM BINDING TO ACTIVATED ENDOTHELIAL CELLS ON THE SURFACE OF LEUCOCYTES GLYCOTECH CORP. 2001-01-02 US disclosed
EP-0886640-A1 SIALYL-LEWISa AND SIALYL-LEWISx EPITOPE ANALOGUES GlycoTech Corp. (US) 1998-12-30 EP disclosed
WO-1997028173-A1 SIALYL-LEWISa AND SIALYL-LEWISx EPITOPE ANALOGUES NOVARTIS AG (CH) 1997-08-07 WO disclosed