SCHEMBL668586

SCHEMBL668586

Nc1ncnc2c1ncn2[C@]1(P(=O)(O)O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.59
P2RX3 P56373 5/20 0.59
P2RX2 Q9UBL9 2/20 0.59
P2RX4 Q99571 3/20 0.57
P2RY1 P47900 7/20 0.56
P2RY2 P41231 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SRC P12931 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RNASEL Q05823 1/20 0.55
TRPM2 O94759 2/20 0.53
MACROD2 A1Z1Q3 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
MACROD1 Q9BQ69 1/20 0.53
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
FBP1 P09467 1/20 0.51
ADORA1 P30542 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
SCHEMBL214972 0.92 P2RY1 (0.59) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL30777206 0.89 P2RX1 (0.61) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL28390621 0.89 P2RX1 (0.61) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL11031781 0.88 P2RX1 (0.62) P2RX1P2RX3P2RX2P2RX4P2RY1
Pyrophosphoric Acid SCHEMBL668584 0.88 ADORA1 (0.52) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL8438672 0.86 P2RX1 (0.63) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL30570921 0.86 P2RX1 (0.63) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL28561820 0.86 P2RX1 (0.60) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL30275537 0.86 P2RX1 (0.60) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL1085901 0.85 P2RX1 (0.59) P2RX1P2RX3P2RX2P2RX4P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230560-A1 TREATMENT OF ORGANIC ACIDEMIAS OR PANTOTHENATE KINASE ASSOCIATED NEURODEGENERATION WITH MODULATORS OF PANTOTHENATE KINASES COA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-10208270-B2 Acyltransferases and uses thereof in fatty acid production BASF PLANT SCIENCE COMPANY GMBH (DE) 2019-02-19 US disclosed
EP-2585603-B1 ACYLTRANSFERASES AND USES THEROF IN FATTY ACID PRODUCTION BASF PLANT SCIENCE CO GMBH (DE) 2017-12-20 EP disclosed
US-20160272951-A1 ACYLTRANSFERASES AND USES THEREOF IN FATTY ACID PRODUCTION BASF PLANT SCIENCE COMPANY GMBH (DE) 2016-09-22 US disclosed
US-9388437-B2 Acyltransferases and uses thereof in fatty acid production BASF PLANT SCIENCE COMPANY GMBH (DE) 2016-07-12 US disclosed
EP-2585603-A1 ACYLTRANSFERASES AND USES THEROF IN FATTY ACID PRODUCTION BASF Plant Science Company GmbH (DE) 2013-05-01 EP disclosed
US-20130097733-A1 Acyltransferases and Uses Thereof in Fatty Acid Production BASF PLANT SCIENCE COMPANY GMBH (DE) 2013-04-18 US disclosed
WO-2012024189-A2 COMPOSITIONS AND METHODS FOR DETERMINING PREDISPOSITION TO DEVELOPING METABOLIC SYNDROME THE J. DAVID GLADSTONE INSTITUTES (US) 2012-02-23 WO disclosed
WO-2011161093-A1 ACYLTRANSFERASES AND USES THEROF IN FATTY ACID PRODUCTION BASF PLANT SCIENCE COMPANY GMBH (DE) 2011-12-29 WO disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed