Adenosine

Adenosine

SCHEMBL28535357

CSCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=S(=O)(O)O

nearest known ligand 0.72

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 0.65
▸ ADORA2A known ✓ P29274 1/20 0.65
▸ ADORA2B known ✓ P29275 1/20 0.65
▸ ADORA1 known ✓ P30542 1/20 0.65
▸ MARS1 P56192 4/20 0.72
▸ DOT1L Q8TEK3 6/20 0.71
▸ NSD2 O96028 5/20 0.71
▸ CARM1 Q86X55 4/20 0.71
▸ SETD7 Q8WTS6 4/20 0.71
▸ EHMT2 Q96KQ7 3/20 0.71
▸ NNMT P40261 3/20 0.71
▸ PRMT1 Q99873 3/20 0.71
▸ FASN P49327 3/20 0.71
▸ TRDMT1 O14717 2/20 0.71
▸ PRMT5 O14744 2/20 0.71
▸ INMT O95050 2/20 0.71
▸ METTL3 Q86U44 2/20 0.71
▸ EHMT1 Q9H9B1 2/20 0.71
▸ METTL14 Q9HCE5 2/20 0.71
▸ KMT2A Q03164 2/20 0.71

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 SCHEMBL28544361 1.00 MARS1 (0.72) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL3014288 0.97 MARS1 (0.77) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL27500408 0.97 MARS1 (0.77) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL3014297 0.97 MARS1 (0.77) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL27683410 0.96 MARS1 (0.75) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL25303131 0.94 MARS1 (0.67) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL28733069 0.93 MARS1 (0.72) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL28664700 0.92 MARS1 (0.64) MARS1DOT1LNSD2CARM1SETD7
Adenosine SCHEMBL29735027 0.90 MARS1 (0.74) MARS1DOT1LNSD2CARM1SETD7
Racemethionine SCHEMBL28493813 0.89 MARS1 (0.75) MARS1DOT1LNSD2CARM1SETD7

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
CN-112341508-B Separation and purification method of ademetionine 内蒙古拜克生物有限公司 2021-12-03 — — CN claimed
CN-112341508-A Separation and purification method of ademetionine 内蒙古拜克生物有限公司 2021-02-09 — — CN claimed
CN-112341508-B Separation and purification method of ademetionine 内蒙古拜克生物有限公司 2021-12-03 — — CN disclosed
CN-112341508-A Separation and purification method of ademetionine 内蒙古拜克生物有限公司 2021-02-09 — — CN disclosed
Send feedback