Sugi Predict

Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL7103807

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5ccccn5)nc43)[C@H](O)[C@@H]2O)[nH]1.O=CO

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 17/20 0.56
▸ ADORA3 P0DMS8 8/20 0.56
▸ ADORA2B P29275 6/20 0.56
▸ ADORA1 P30542 6/20 0.56
▸ PGK1 P00558 1/20 0.47
▸ PGK2 P07205 1/20 0.47

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
SCHEMBL7105160 0.97 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7103810 0.91 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103812 0.91 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7120921 0.88 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7099631 0.87 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7098930 0.86 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103855 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7111275 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7100359 0.83 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7103615 0.83 ADORA2A (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 — — EP disclosed
EP-1090023-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 — — EP disclosed
WO-1999067264-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 — — WO disclosed