Adenosine

Adenosine

SCHEMBL8013455

N[C@@H](CCS)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

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 1/20 0.68
▸ ADORA2A known ✓ P29274 1/20 0.68
▸ ADORA2B known ✓ P29275 1/20 0.68
▸ ADORA1 known ✓ P30542 1/20 0.68
▸ NNMT P40261 4/20 0.70
▸ DOT1L Q8TEK3 6/20 0.69
▸ CARM1 Q86X55 4/20 0.69
▸ EHMT2 Q96KQ7 4/20 0.69
▸ NSD2 O96028 3/20 0.69
▸ SETD7 Q8WTS6 3/20 0.69
▸ PCMT1 P22061 2/20 0.69
▸ TRDMT1 O14717 2/20 0.69
▸ PRMT5 O14744 2/20 0.69
▸ INMT O95050 2/20 0.69
▸ METTL3 Q86U44 2/20 0.69
▸ PRMT1 Q99873 2/20 0.69
▸ EHMT1 Q9H9B1 2/20 0.69
▸ METTL14 Q9HCE5 2/20 0.69
▸ RNMT O43148 2/20 0.69
▸ TPMT P51580 1/20 0.69

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 SCHEMBL8013453 1.00 NNMT (0.70) NNMTDOT1LCARM1EHMT2NSD2
Adenosine SCHEMBL6408986 0.95 NNMT (0.76) NNMTDOT1LCARM1EHMT2NSD2
Adenosine SCHEMBL6408967 0.95 NNMT (0.76) NNMTDOT1LCARM1EHMT2NSD2
Adenosine SCHEMBL27579066 0.89 NNMT (0.77) NNMTDOT1LCARM1EHMT2NSD2
Inosine SCHEMBL8446030 0.88 NNMT (0.55) NNMTDOT1LCARM1EHMT2NSD2
Inosine SCHEMBL8446027 0.88 NNMT (0.55) NNMTDOT1LCARM1EHMT2NSD2
S-Adenosylhomocysteine SCHEMBL29130128 0.88 DOT1L (0.87) NNMTDOT1LCARM1EHMT2NSD2
Adenosine SCHEMBL28045831 0.88 DOT1L (0.78) NNMTDOT1LCARM1EHMT2NSD2
Adenosine SCHEMBL1664893 0.88 ADORA3 (0.89) DOT1LEHMT1KMT2ADPP4MEN1
Homocysteine SCHEMBL28487110 0.87 NNMT (0.75) NNMTDOT1LCARM1EHMT2NSD2

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-6020139-A S-adenosyl methionine regulation of metabolic pathways and its use in diagnosis and therapy ORIDIGM CORPORATION (US) 2000-02-01 — — US disclosed
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