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Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL760216

C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])[O-]

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2

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

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.79
▸ GLA P06280 1/20 0.79
▸ ST6GAL1 P15907 10/20 0.61
▸ P2RY2 P41231 2/20 0.57
▸ P2RY4 P51582 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ MDM2 Q00987 1/20 0.54
▸ NCOA1 Q15788 1/20 0.54
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
Choline SCHEMBL503814 0.98 TSHR (0.81) TSHRGLAST6GAL1P2RY2P2RY4
Choline SCHEMBL2446082 0.93 TSHR (0.79) TSHRGLAST6GAL1P2RY2P2RY4
Choline SCHEMBL28018234 0.92 TSHR (0.76) TSHRGLAST6GAL1P2RY2P2RY4
Cytarabine 5'-Phosphate SCHEMBL18441379 0.91 TSHR (0.75) TSHRGLAST6GAL1P2RY2P2RY4
SCHEMBL29356399 0.90 TSHR (0.81) TSHRGLAST6GAL1P2RY2P2RY4
SCHEMBL5407898 0.90 TSHR (0.81) TSHRGLAST6GAL1P2RY2P2RY4
Citicoline SCHEMBL667104 0.90 TSHR (0.84) TSHRGLAST6GAL1P2RY2P2RY4
Cytidine SCHEMBL11215446 0.90 LMNA (0.69) TSHRGLAST6GAL1P2RY2P2RY4
Potassium Ion SCHEMBL10585798 0.90 TSHR (0.80) TSHRGLAST6GAL1P2RY2P2RY4
Citicoline SCHEMBL30969948 0.89 TSHR (0.82) TSHRGLAST6GAL1P2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703473-B2 Recombinant microbial host cells for high eicosapentaenoic acid production E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-22 — — US disclosed
US-20120052537-A1 RECOMBINANT MICROBIAL HOST CELLS FOR HIGH EICOSAPENTAENOIC ACID PRODUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-01 — — US disclosed