SCHEMBL8905757

SCHEMBL8905757

O=P(O)(O)COCc1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
FDPS P14324 6/20 0.37
PTPN1 P18031 1/20 0.36
FBP1 P09467 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
PNP P00491 3/20 0.34
FGFR1 P11362 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
GRM5 P41594 1/20 0.33
P2RX7 Q99572 1/20 0.32
NT5E P21589 1/20 0.32

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
SCHEMBL8910883 0.91 GAA (0.36) GAAFDPSPTPN1FBP1CYP2C9
SCHEMBL459068 0.75 FDPS (0.39) GAAFDPSCYP2C9CYP2C19P2RX7
SCHEMBL7443950 0.75 TSHR (0.35) ALDH1A1POLBHTTGRM5
SCHEMBL7241548 0.73 ALDH1A1 (0.39) GAAFDPSCYP2C9CYP2C19ALDH1A1
SCHEMBL939997 0.72 PGK1 (0.46) FDPSP2RX7
SCHEMBL3359610 0.69 TSHR (0.59) GAAFBP1CYP2C9CYP2C19ALDH1A1
SCHEMBL459237 0.69 TSHR (0.40) FDPS
Phosphoric Acid SCHEMBL459067 0.67 FDPS (0.38) GAAFDPSALDH1A1P2RX7
Phosphoric Acid SCHEMBL938025 0.67 FDPS (0.38) GAAFDPSALDH1A1P2RX7
SCHEMBL13262247 0.67 ALDH1A1 (0.33) ALDH1A1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693798-A ACTIVE AGAINST RETROVIRAL DISEASES; PROPHYLAXIS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-12-02 US claimed