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Diquafosol

Diquafosol

SCHEMBL24414701

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

P2RY1P2RY2P2RY4P2RY6

The experimentally established mechanism targets of Diquafosol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 known ✓ P41231 12/20 1.00
▸ P2RY4 known ✓ P51582 7/20 1.00
▸ P2RY6 known ✓ Q15077 6/20 1.00
▸ P2RY14 Q15391 7/20 0.90

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
SCHEMBL15082674 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
Diquafosol SCHEMBL22889034 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
Diquafosol SCHEMBL21415941 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
SCHEMBL15082662 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
Diquafosol SCHEMBL24414702 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
Diquafosol SCHEMBL22336797 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
Diquafosol SCHEMBL20642231 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
Diquafosol SCHEMBL21213636 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
Diquafosol SCHEMBL22198897 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14
SCHEMBL12714921 1.00 P2RY2 (1.00) P2RY2P2RY4P2RY6P2RY14

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-20230263800-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC FUNCTION FRED HUTCHINSON CANCER CENTER (US) 2023-08-24 — — US disclosed
WO-2022098776-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC FUNCTION FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-05-12 — — WO 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-20230263800-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC FUNCTION BMP4, P2RY2, GPR39 P2RY2 2/4885P2RY4 13/4885P2RY6 21/4885

“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.