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Sugi Predict / Compounds / Adenosine

Adenosine

Adenosine

SCHEMBL9426528

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

nearest known ligand 0.89

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
▸ ADORA3 known ✓ P0DMS8 4/20 0.89
▸ ADORA2A known ✓ P29274 2/20 0.89
▸ ADORA2B known ✓ P29275 2/20 0.89
▸ ADORA1 known ✓ P30542 1/20 0.89
▸ DOT1L Q8TEK3 3/20 0.89
▸ DPP4 P27487 1/20 0.89
▸ MEN1 O00255 1/20 0.89
▸ SLC28A1 O00337 1/20 0.89
▸ MAP3K7 O43318 1/20 0.89
▸ SLC28A2 O43868 1/20 0.89
▸ GAPDH P04406 1/20 0.89
▸ MAPK1 P28482 1/20 0.89
▸ STAT6 P42226 1/20 0.89
▸ PI4KA P42356 1/20 0.89
▸ KMT2A Q03164 1/20 0.89
▸ SMN1; SMN2 Q16637 1/20 0.89
▸ PI4K2B Q8TCG2 1/20 0.89
▸ SLC29A1 Q99808 1/20 0.89
▸ PI4K2A Q9BTU6 1/20 0.89
▸ SLC28A3 Q9HAS3 1/20 0.89

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 SCHEMBL27849525 0.97 ADORA3 (0.91) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL6749752 0.94 ADORA3 (0.87) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL4396199 0.94 ADORA3 (0.87) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL4401875 0.94 ADORA3 (0.87) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL24538665 0.94 ADORA3 (1.00) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL2228590 0.94 ADORA3 (1.00) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL2403819 0.94 ADORA3 (1.00) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL23804425 0.94 ADORA3 (1.00) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL406207 0.94 ADORA3 (1.00) ADORA3DOT1LADORA2AADORA2BDPP4
Adenosine SCHEMBL13362239 0.94 ADORA3 (1.00) ADORA3DOT1LADORA2AADORA2BDPP4

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
US-4705758-A Adenosine receptor assay and kit WARNER-LAMBERT COMPANY (US) 1987-11-10 — — US claimed
WO-2019174560-A1 COMPOSITION FOR PURIFICATION OF BIOFLUIDS 必康生技（香港）有限公司 2019-09-19 — — WO disclosed
US-5290773-A Sulfonyl derivatives TAKAYANAGI TAKEO (US) 1994-03-01 — — US disclosed
EP-0493642-A1 Novel sulfonyl derivatives Takayanagi, Takeo, Dr. (US) 1992-07-08 — — EP disclosed