Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL1948824

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O

nearest known ligand 0.71

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.71
▸ P2RY2 P41231 3/20 0.71
▸ SRC P12931 1/20 0.71
▸ P2RX1 P51575 1/20 0.71
▸ P2RX3 P56373 1/20 0.71
▸ P2RX4 Q99571 1/20 0.71
▸ P2RX2 Q9UBL9 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ RXFP1 Q9HBX9 1/20 0.69
▸ MACROD2 A1Z1Q3 1/20 0.67
▸ SIRT6 Q8N6T7 1/20 0.67
▸ MACROD1 Q9BQ69 1/20 0.67
▸ TRPM2 O94759 1/20 0.67
▸ P2RY11 Q96G91 1/20 0.66
▸ TSHR P16473 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ BLM P54132 1/20 0.65

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 Triphosphate SCHEMBL1948818 0.93 RXFP1 (0.70) P2RY1RXFP1P2RY11TSHRKDM4E
Adenosine Phosphate SCHEMBL18917563 0.91 RXFP1 (0.77) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Phosphate SCHEMBL8591984 0.88 P2RY1 (0.81) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine SCHEMBL1845383 0.88 RXFP1 (0.65) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Triphosphate SCHEMBL29663097 0.87 P2RY1 (0.83) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Triphosphate SCHEMBL29573857 0.87 P2RY1 (0.83) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Triphosphate SCHEMBL574960 0.87 P2RY1 (0.83) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Diphosphate SCHEMBL29808018 0.87 P2RY1 (0.89) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Triphosphate SCHEMBL29636841 0.87 P2RY1 (0.81) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Triphosphate SCHEMBL29392565 0.87 P2RY1 (0.81) P2RY1P2RY2SRCP2RX1P2RX3

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-8629265-B2 Method for producing phosphate-bridged nucleoside conjugates UNIVERSITAET HAMBURG (DE) 2014-01-14 — — 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 (1 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 489/4885SRC 2462/4885

“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.

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