Formic Acid

SCHEMBL7099570

Cc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)[nH]1.O=CO

nearest known ligand 0.48

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	14/20	0.48

▸	ADORA3	P0DMS8	8/20	0.48

▸	ADORA1	P30542	8/20	0.48

▸	ADORA2B	P29275	7/20	0.48

▸	PGK1	P00558	1/20	0.42

▸	PGK2	P07205	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.

Compound	similarity	top predicted	shared targets
SCHEMBL7100461	0.97	ADORA2A (0.49)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7104785	0.93	ADORA2A (0.49)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7100284	0.92	ADORA2A (0.47)	ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7099579	0.91	ADORA2A (0.45)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103945	0.90	ADORA2A (0.50)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7119041	0.89	ADORA2A (0.47)	ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7102203	0.89	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7102132	0.87	ADORA2A (0.51)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7231158	0.86	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7118427	0.85	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2BPGK1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1090023-B1	2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES	GLAXO GROUP LTD (GB)	2003-09-10	—	—	EP	disclosed