Adenosine

Adenosine

SCHEMBL9225148

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 known ✓ P30542 3/20 0.77
▸ ADORA3 known ✓ P0DMS8 1/20 0.77
▸ ADORA2A known ✓ P29274 1/20 0.77
▸ ADORA2B known ✓ P29275 1/20 0.77
▸ P2RY2 P41231 4/20 0.79
▸ SMN1; SMN2 Q16637 3/20 0.77
▸ DPP4 P27487 1/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ SLC28A1 O00337 1/20 0.77
▸ MAP3K7 O43318 1/20 0.77
▸ SLC28A2 O43868 1/20 0.77
▸ GAPDH P04406 1/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ STAT6 P42226 1/20 0.77
▸ PI4KA P42356 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ PI4K2B Q8TCG2 1/20 0.77
▸ DOT1L Q8TEK3 1/20 0.77
▸ SLC29A1 Q99808 1/20 0.77
▸ PI4K2A Q9BTU6 1/20 0.77

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 SCHEMBL28240733 0.99 P2RY2 (0.80) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL29362201 0.99 P2RY2 (0.80) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL459996 0.99 P2RY2 (0.80) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL459770 0.99 P2RY2 (0.80) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL29397260 0.98 P2RY2 (0.82) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Vidarabine SCHEMBL7170349 0.98 P2RY2 (0.82) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL1744580 0.98 P2RY2 (0.82) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL2210868 0.98 P2RY2 (0.82) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL29796534 0.98 P2RY2 (0.82) P2RY2SMN1; SMN2ADORA1DPP4MEN1
Adenosine SCHEMBL28296801 0.97 P2RY2 (0.80) P2RY2SMN1; SMN2ADORA1DPP4MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7242685-A — — None — — JP disclosed
JP-7242685-A — — None — — JP disclosed
JP-H07242685-A PRODUCTION OF DIADENOSINE TETRAPHOSPHATE HYDRATE UNITIKA LTD 1995-09-19 — — JP disclosed
JP-H07242685-A PRODUCTION OF DIADENOSINE TETRAPHOSPHATE HYDRATE UNITIKA LTD 1995-09-19 — — JP disclosed
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