Adenosine

Adenosine

SCHEMBL28294033

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

nearest known ligand 0.73

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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 1/20 0.72
ADORA2A known ✓ P29274 1/20 0.72
ADORA2B known ✓ P29275 1/20 0.72
ADORA1 known ✓ P30542 1/20 0.72
NNMT P40261 4/20 0.73
DOT1L Q8TEK3 6/20 0.72
KMT2A Q03164 2/20 0.72
DPP4 P27487 1/20 0.72
MEN1 O00255 1/20 0.72
SLC28A1 O00337 1/20 0.72
MAP3K7 O43318 1/20 0.72
SLC28A2 O43868 1/20 0.72
GAPDH P04406 1/20 0.72
MAPK1 P28482 1/20 0.72
STAT6 P42226 1/20 0.72
PI4KA P42356 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
PI4K2B Q8TCG2 1/20 0.72
SLC29A1 Q99808 1/20 0.72
PI4K2A Q9BTU6 1/20 0.72

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 SCHEMBL27579066 0.92 NNMT (0.77) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL6408986 0.91 NNMT (0.76) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL6408967 0.91 NNMT (0.76) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL28045831 0.89 DOT1L (0.78) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL9426528 0.88 ADORA3 (0.89) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL27683840 0.88 NNMT (0.72) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL1858293 0.88 DOT1L (0.77) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL3014288 0.87 MARS1 (0.77) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL3014297 0.87 MARS1 (0.77) NNMTDOT1LKMT2ADPP4MEN1
Adenosine SCHEMBL27500408 0.87 MARS1 (0.77) NNMTDOT1LKMT2ADPP4MEN1

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
CN-103703122-B The microorganism of the fixed cycles of carbon dioxide is imported 三井化学株式会社 2019-04-26 CN disclosed