SCHEMBL24377014

SCHEMBL24377014

O=c1[nH]cnc2c1ncn2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.85
DNPH1 O43598 4/20 0.70
TAS1R3 Q7RTX0 3/20 0.70
TAS1R1 Q7RTX1 3/20 0.70
PRKAB2 O43741 1/20 0.70
TRPM2 O94759 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
SRC P12931 1/20 0.70
ADORA1 P30542 1/20 0.70
P2RY2 P41231 1/20 0.70
P2RY1 P47900 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PDE3A Q14432 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70

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
SCHEMBL12931223 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL12727824 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL29379936 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL903330 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL24160912 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL184240 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL18258283 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL26862112 1.00 P2RX3 (0.85) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
Phosphoric Acid SCHEMBL11814708 0.99 P2RX3 (0.83) P2RX3DNPH1TAS1R3TAS1R1PRKAB2
SCHEMBL888021 0.99 P2RX3 (0.83) P2RX3DNPH1TAS1R3TAS1R1PRKAB2

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
US-20220125815-A1 SYNERGISTIC BIOACTIVE COMPOSITIONS FOR ENHANCING CELLULAR ENERGY Celagenex Research (India) Pvt. Ltd. (IN) 2022-04-28 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-20220125815-A1 SYNERGISTIC BIOACTIVE COMPOSITIONS FOR ENHANCING CELLULAR ENERGY ATIC, ADORA2A, NT5C2 P2RX3 77/4885DNPH1 579/4885TAS1R3 4650/4885

“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.