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Phosphomethylphosphonic Acid Adenylate Ester

Phosphomethylphosphonic Acid Adenylate Ester

SCHEMBL14178282

Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)CP(=O)(O)O)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 3/20 1.00
▸ P2RX3 P56373 3/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ ENPP1 P22413 6/20 0.86
▸ PLCG1 P19174 1/20 0.86
▸ NT5E P21589 1/20 0.86
▸ P2RY1 P47900 7/20 0.86
▸ P2RY2 P41231 3/20 0.86
▸ SRC P12931 2/20 0.86
▸ SMN1; SMN2 Q16637 2/20 0.86
▸ P2RX4 Q99571 1/20 0.86
▸ P2RX2 Q9UBL9 1/20 0.86
▸ P2RY11 Q96G91 2/20 0.84
▸ TRPM2 O94759 2/20 0.80
▸ MACROD2 A1Z1Q3 1/20 0.80
▸ SIRT6 Q8N6T7 1/20 0.80
▸ MACROD1 Q9BQ69 1/20 0.80
▸ DNPH1 O43598 1/20 0.76
▸ PRKAB2 O43741 1/20 0.76
▸ LDHA P00338 1/20 0.76

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
Phosphomethylphosphonic Acid Adenylate Ester SCHEMBL29493202 1.00 P2RX1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenylate Ester SCHEMBL2037068 1.00 P2RX1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
SCHEMBL16674886 0.96 P2RX1 (0.93) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenosyl Ester SCHEMBL15532186 0.93 ENPP1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenosyl Ester SCHEMBL21067537 0.93 ENPP1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenosyl Ester SCHEMBL24205127 0.93 ENPP1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenosyl Ester SCHEMBL4314227 0.93 ENPP1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenosyl Ester SCHEMBL21724956 0.93 ENPP1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenosyl Ester SCHEMBL16351400 0.93 ENPP1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1
Phosphomethylphosphonic Acid Adenosyl Ester SCHEMBL29357429 0.93 ENPP1 (1.00) P2RX1P2RX3ALDH1A1ENPP1PLCG1

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-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 — — US disclosed
US-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 — — US disclosed
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