Demannose — predicted protein targets

Known targets — ChEMBL curated mechanism

ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 AVPR1A AVPR1B AVPR2 BDKRB2 CALCR CHRNA3 CHRNB4 ESR1 ESR2 GHSR GNRHR GSC1 HSPA8 MALT1 MC1R MC4R NOS1 NOS2 NOS3 OPRK1 OXTR RAMP1 RAMP2 RAMP3 SCN5A SSTR1 SSTR2 SSTR3 SSTR4 SSTR5 dacA dacB dacC folP ftsI mrcA mrcB mrdA rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Demannose. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	FFAR3	O14843	1/20	0.33

▸	HDAC3	O15379	1/20	0.33

▸	HDAC1	Q13547	1/20	0.33

▸	HDAC2	Q92769	1/20	0.33

▸	HDAC8	Q9BY41	1/20	0.33

▸	USP2	O75604	1/20	0.33

▸	SLCO1B1	Q9Y6L6	1/20	0.33

▸	PDE4A	P27815	1/20	0.32

▸	FPR2	P25090	2/20	0.30

▸	LMNA	P02545	1/20	0.30

▸	NFKB1	P19838	1/20	0.30

▸	NFKB2	Q00653	1/20	0.30

▸	RELA	Q04206	1/20	0.30

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.

Compound	similarity	top predicted	shared targets
Demannose SCHEMBL28531529	0.88	FFAR3 (0.43)	FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL15324264	0.87	KDM4E (0.31)	LMNA
Demannose SCHEMBL27660938	0.86	FFAR3 (0.45)	FFAR3HDAC3HDAC1HDAC2HDAC8
Demannose SCHEMBL5586151	0.86	FFAR3 (0.45)	FFAR3HDAC3HDAC1HDAC2HDAC8
Demannose SCHEMBL7869242	0.85	PDE4A (0.40)	USP2SLCO1B1PDE4AFPR2LMNA
Xylose SCHEMBL16011524	0.82	FFAR3 (0.46)	FFAR3HDAC3HDAC1HDAC2HDAC8
Xylose SCHEMBL18141104	0.82	FFAR3 (0.46)	FFAR3HDAC3HDAC1HDAC2HDAC8
Xylose SCHEMBL20581742	0.82	FFAR3 (0.46)	FFAR3HDAC3HDAC1HDAC2HDAC8
Demannose SCHEMBL14248791	0.82	PDE4A (0.42)	USP2SLCO1B1PDE4ALMNA
Demannose SCHEMBL2587512	0.82	PDE4A (0.45)	USP2SLCO1B1PDE4ALMNA

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2836832-A1	EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA	Wayne State University (US)	2015-02-18	—	—	EP	disclosed
WO-2013155458-A1	EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA	WAYNE STATE UNIVERSITY (US)	2013-10-17	—	—	WO	disclosed