Triphosphate

Triphosphate

SCHEMBL9104232

C1COCO1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.c1ncc2[nH]cnc2n1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36

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
Purine SCHEMBL9103870 0.90 CHEK1 (0.32)
Triphosphate SCHEMBL595229 0.90 P2RX3 (0.38) P2RX3
Pyrophosphoric Acid SCHEMBL637333 0.84 ALDH1A1 (0.35) P2RX3
Purine SCHEMBL1705518 0.84 ALDH1A1 (0.37)
Triphosphate SCHEMBL7453135 0.82 P2RX3 (0.35) P2RX3
Purine SCHEMBL5989434 0.78 ALDH1A1 (0.39)
Purine SCHEMBL27554272 0.78 ALDH1A1 (0.39)
Purine SCHEMBL595231 0.78 ALDH1A1 (0.39)
Purine SCHEMBL2676962 0.75 ALDH1A1 (0.41)
Purine SCHEMBL27636167 0.73 ALDH1A1 (0.45)

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
WO-2012078416-A2 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF RFS PHARMA, LLC (US) 2012-06-14 WO disclosed
US-20120142627-A1 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF EMORY UNIVERSITY (US) 2012-06-07 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-20120142627-A1 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF DCTD, ENTPD5, PNP P2RX3 312/4885

“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.