Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL28087656

Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.56
P2RX1 P51575 3/20 0.56
P2RX3 P56373 3/20 0.56
P2RY2 P41231 2/20 0.56
P2RX2 Q9UBL9 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SRC P12931 1/20 0.56
P2RX4 Q99571 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RNASEL Q05823 3/20 0.55
MACROD2 A1Z1Q3 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
MACROD1 Q9BQ69 1/20 0.54
TRPM2 O94759 1/20 0.54
DTYMK P23919 2/20 0.52
PARG Q86W56 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
Adenosine SCHEMBL675657 0.84 LMNA (0.62) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL675658 0.84 LMNA (0.58) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL31005215 0.84 P2RY1 (0.56) P2RY1P2RX1P2RX3P2RY2P2RX2
Cocarboxylase SCHEMBL14636148 0.84 LMNA (0.63) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL14636151 0.83 TKT (0.56) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine SCHEMBL2702312 0.80 LMNA (0.56) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL6862756 0.80 TDP1 (0.53) P2RY1P2RX1P2RX3P2RY2P2RX2
Cocarboxylase SCHEMBL27279703 0.78 LMNA (0.67) ALDH1A1
Adenosine Triphosphate SCHEMBL2227081 0.77 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL376008 0.77 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2

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
CN-105848636-A Liquid protein formulations comprising organophosphates 阿尔西亚治疗有限公司 2016-08-10 CN disclosed