SCHEMBL22986473

SCHEMBL22986473

O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)C(O)C3O)c2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.66
IMPDH1 P20839 2/20 0.66
TAS1R3 Q7RTX0 3/20 0.62
TAS1R1 Q7RTX1 3/20 0.62
DNPH1 O43598 3/20 0.58
FBP1 P09467 2/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
SRC P12931 1/20 0.58
ADORA1 P30542 1/20 0.58
P2RY2 P41231 1/20 0.58
P2RY1 P47900 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
PRKAA1 Q13131 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL188741 1.00 IMPDH2 (0.66) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL12727828 1.00 IMPDH2 (0.66) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL27862445 1.00 IMPDH2 (0.66) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL4356337 1.00 IMPDH2 (0.66) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL2217345 1.00 IMPDH2 (0.66) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL188739 1.00 IMPDH2 (0.66) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL20266268 0.99 IMPDH2 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL22635931 0.99 IMPDH2 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
Phosphoric Acid SCHEMBL30728570 0.99 IMPDH2 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1
SCHEMBL28340155 0.99 IMPDH2 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1DNPH1

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-11041181-B2 Promoter and method for producing purine nucleotide using the same CJ CHEILJEDANG CORPORATION (KR) 2021-06-22 US disclosed
US-11008599-B2 Variant phosphoribosylpyrophosphate amidotransferase and method of preparing purine nucleotide using the same CJ CHEILJEDANG CORPORATION (KR) 2021-05-18 US disclosed
US-20210047666-A1 VARIANT PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE AND METHOD OF PREPARING PURINE NUCLEOTIDE USING THE SAME SMITH & NEPHEW, INC. 2021-02-18 US disclosed
US-20210047665-A1 NOVEL PROMOTER AND METHOD FOR PRODUCING PURINE NUCLEOTIDE USING THE SAME CJ CHEILJEDANG CORPORATION (KR) 2021-02-18 US disclosed