Diadenosine Tetraphosphate

Diadenosine Tetraphosphate

SCHEMBL4069414

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 1.00
P2RY2 P41231 3/20 1.00
P2RX1 P51575 3/20 1.00
P2RX3 P56373 3/20 1.00
ALDH1A1 P00352 2/20 1.00
SRC P12931 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
P2RX2 Q9UBL9 2/20 1.00
P2RX4 Q99571 1/20 1.00
TRPM2 O94759 2/20 0.93
MACROD2 A1Z1Q3 1/20 0.93
SIRT6 Q8N6T7 1/20 0.93
MACROD1 Q9BQ69 1/20 0.93
TAS1R3 Q7RTX0 2/20 0.85
TAS1R1 Q7RTX1 2/20 0.85
DNPH1 O43598 1/20 0.85
PRKAB2 O43741 1/20 0.85
LDHA P00338 1/20 0.85
ADRB2 P07550 1/20 0.85
FBP1 P09467 1/20 0.85

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
SCHEMBL1744586 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL849869 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL6516963 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL10069136 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL4363130 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL4357990 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL14205963 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL2934890 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL21067711 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL31079560 1.00 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1

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-8742094-B2 Method for the solid phase-based production of phosphate-bridged nucleoside conjugates UNIVERSITAET HAMBURG (DE) 2014-06-03 US disclosed
US-8629265-B2 Method for producing phosphate-bridged nucleoside conjugates UNIVERSITAET HAMBURG (DE) 2014-01-14 US disclosed
US-20120116067-A1 METHOD FOR THE SOLID PHASE-BASED PRODUCTION OF PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES UNIVERSITAET HAMBURG (DE) 2012-05-10 US disclosed
US-20110137023-A1 METHOD FOR PRODUCING PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES UNIVERSITAET HAMBURG (DE) 2011-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110137023-A1 METHOD FOR PRODUCING PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES TYMP, PNP, NUDT1 P2RY1 354/4885P2RY2 489/4885P2RX1 643/4885
US-20120116067-A1 METHOD FOR THE SOLID PHASE-BASED PRODUCTION OF PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES PNP, TYMP, DPYD P2RY1 778/4885P2RY2 1020/4885P2RX1 1239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.