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Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL7204951

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(N[C@H]5CC[C@H](N)CC5)nc43)[C@H](O)[C@@H]2O)n1.O=CO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.50
▸ CCNB2 O95067 2/20 0.43
▸ CCNE2 O96020 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CCNB3 Q8WWL7 2/20 0.43
▸ ADORA2B P29275 2/20 0.42
▸ ADORA3 P0DMS8 4/20 0.41
▸ ADORA1 P30542 3/20 0.41

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
Formic Acid SCHEMBL7204946 1.00 ADORA2A (0.50) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL7207428 0.96 ADORA2A (0.51) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL7207432 0.96 ADORA2A (0.51) ADORA2ACCNB2CCNE2CDK1CDK4
Formic Acid SCHEMBL7211355 0.94 ADORA2A (0.48) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL7202128 0.92 ADORA2A (0.51) ADORA2ACCNB2CCNE2CDK1CDK4
Formic Acid SCHEMBL7202139 0.92 ADORA2A (0.51) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL7204948 0.92 ADORA2A (0.47) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL7204947 0.91 ADORA2A (0.45) ADORA2ACCNB2CCNE2CDK1CDK4
SCHEMBL7569540 0.90 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL7208452 0.89 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1

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
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 — — US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 — — EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 — — EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 — — WO disclosed