Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL1948818

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@@H](O)[C@H]1O.[H+]

nearest known ligand 0.71

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.70
▸ P2RY1 P47900 4/20 0.67
▸ P2RY11 Q96G91 1/20 0.67
▸ BLM P54132 3/20 0.66
▸ PMP22 Q01453 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ ENPP1 P22413 1/20 0.64
▸ LMNA P02545 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ KMT2A Q03164 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ P2RY12 Q9H244 1/20 0.63

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 SCHEMBL1948824 0.93 P2RY1 (0.71) RXFP1P2RY1P2RY11BLMLMNA
Adenosine Phosphate SCHEMBL18917563 0.91 RXFP1 (0.77) RXFP1P2RY1P2RY11BLMENPP1
Adenosine Triphosphate SCHEMBL29905572 0.91 P2RY1 (0.80) P2RY1P2RY11BLMPMP22CYP2C19
Adenosine Triphosphate SCHEMBL193646 0.91 P2RY1 (0.80) P2RY1P2RY11BLMPMP22CYP2C19
Adenosine Triphosphate SCHEMBL29576424 0.91 P2RY1 (0.80) P2RY1P2RY11BLMPMP22CYP2C19
Adenosine Triphosphate SCHEMBL924732 0.90 P2RY1 (0.79) P2RY1P2RY11BLMPMP22CYP2C19
Adenosine Triphosphate SCHEMBL29007057 0.90 P2RY1 (0.79) P2RY1P2RY11BLMPMP22CYP2C19
Adenosine Triphosphate SCHEMBL3134374 0.90 P2RY1 (0.79) P2RY1P2RY11BLMPMP22CYP2C19
Adenosine Triphosphate SCHEMBL31149196 0.90 P2RY1 (0.79) P2RY1P2RY11BLMPMP22CYP2C19
Adenosine Triphosphate SCHEMBL29796747 0.90 P2RY1 (0.79) P2RY1P2RY11BLMPMP22CYP2C19

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 RXFP1 4802/4885P2RY1 354/4885P2RY11 471/4885

“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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