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Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL7120921

O=CO.O[C@@H]1[C@H](O)[C@@H](c2nnc[nH]2)O[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccccn3)nc21

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.54
▸ ADORA3 P0DMS8 5/20 0.54
▸ ADORA2B P29275 4/20 0.54
▸ ADORA1 P30542 4/20 0.54
▸ PGK1 P00558 3/20 0.48
▸ PGK2 P07205 3/20 0.48

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
SCHEMBL7111275 0.97 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7120924 0.91 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7120929 0.91 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7114620 0.90 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103807 0.88 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7121960 0.87 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7115795 0.87 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7114204 0.86 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7105160 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7113401 0.85 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090020-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-05 — — EP disclosed