Sugi Predict

Sugi Predict / Compounds / Denufosol

Denufosol

Denufosol

SCHEMBL561652

Nc1ccn([C@H]2C[C@H](O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

P2RY2

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

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 known ✓ P41231 19/20 0.98
▸ P2RY4 P51582 12/20 0.98
▸ P2RY6 Q15077 10/20 0.98

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
Denufosol SCHEMBL24414847 0.99 P2RY2 (1.00) P2RY2P2RY4P2RY6
Denufosol SCHEMBL30480354 0.99 P2RY2 (1.00) P2RY2P2RY4P2RY6
Denufosol SCHEMBL22127329 0.99 P2RY2 (1.00) P2RY2P2RY4P2RY6
Denufosol SCHEMBL15108954 0.99 P2RY2 (1.00) P2RY2P2RY4P2RY6
Cytarabine 5'-Phosphate SCHEMBL25290865 0.93 P2RY2 (0.89) P2RY2P2RY4P2RY6
SCHEMBL30111010 0.92 P2RY2 (0.86) P2RY2P2RY4P2RY6
SCHEMBL29798782 0.92 P2RY2 (0.86) P2RY2P2RY4P2RY6
SCHEMBL15082664 0.91 P2RY2 (1.00) P2RY2P2RY4P2RY6
Denufosol SCHEMBL29366605 0.89 P2RY2 (1.00) P2RY2P2RY4P2RY6
Uridine Triphosphate SCHEMBL25298912 0.88 P2RY2 (0.92) P2RY2P2RY4P2RY6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253456-B Preparation method of denufosol sodium 广东先强药业有限公司 2021-05-11 — — CN disclosed
CN-111253456-A Preparation method of denufosol sodium 广东先强药业有限公司 2020-06-09 — — CN disclosed
US-8124730-B1 Polynucleotide encoding a novel human P2X7 splice variant, HBMYP2X7v BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 — — US disclosed
US-20120035350-A1 POLYNUCLEOTIDE ENCODING A NOVEL HUMAN P2X7 SPLICE VARIANT, HBMYP2X7V BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 — — US disclosed
US-7344860-B2 Polynucleotide encoding a novel human P2X7 splice variant, HBMYP2X7v BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-18 — — US disclosed
EP-1615991-A4 POLYNUCLEOTIDE ENCODING A NOVEL HUMAN P2X7 SPLICE VARIANT, HBMYP2X7V BRISTOL MYERS SQUIBB CO (US) 2007-12-19 — — EP disclosed
EP-1615991-A2 POLYNUCLEOTIDE ENCODING A NOVEL HUMAN P2X7 SPLICE VARIANT, HBMYP2X7V Bristol-Myers Squibb Company (US) 2006-01-18 — — EP disclosed
US-20040229262-A1 Polynucleotide encoding a novel human P2X7 splice variant, HBMYP2X7v BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 — — US disclosed
WO-2004090097-A2 POLYNUCLEOTIDE ENCODING A NOVEL HUMAN P2X7 SPLICE VARIANT, HBMYP2X7V BRISTOL-MYERS SQUIBB COMPANY (US) 2004-10-21 — — WO disclosed