Adenosine

Adenosine

SCHEMBL8378802

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=P([O-])([O-])OP(=O)([O-])OP(=O)(O)OP(=O)([O-])O.[Na+].[Na+].[Na+].[Na+]

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
▸ ADORA1 known ✓ P30542 3/20 0.68
▸ ADORA3 known ✓ P0DMS8 1/20 0.68
▸ ADORA2A known ✓ P29274 1/20 0.68
▸ ADORA2B known ✓ P29275 1/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ DPP4 P27487 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ SLC28A1 O00337 1/20 0.68
▸ MAP3K7 O43318 1/20 0.68
▸ SLC28A2 O43868 1/20 0.68
▸ GAPDH P04406 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ STAT6 P42226 1/20 0.68
▸ PI4KA P42356 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ PI4K2B Q8TCG2 1/20 0.68
▸ DOT1L Q8TEK3 1/20 0.68
▸ SLC29A1 Q99808 1/20 0.68
▸ PI4K2A Q9BTU6 1/20 0.68
▸ SLC28A3 Q9HAS3 1/20 0.68

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 SCHEMBL31375407 0.96 ADORA1 (0.70) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL28608116 0.96 ADORA1 (0.70) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL4762692 0.95 SMN1; SMN2 (0.75) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL2442774 0.95 ADORA1 (0.77) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL3183004 0.95 ADORA1 (0.77) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL924728 0.94 ADORA1 (0.75) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL5903597 0.94 ADORA1 (0.75) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL7516483 0.94 ADORA1 (0.75) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL3166848 0.94 ADORA1 (0.75) SMN1; SMN2ADORA1DPP4MEN1SLC28A1
Adenosine SCHEMBL926532 0.94 ADORA1 (0.75) SMN1; SMN2ADORA1DPP4MEN1SLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721955-B1 Diadenosine tetraphosphate tetrasodium salt dodecahydrate crystals UNITIKA LTD (JP) 1999-04-07 — — EP claimed
US-5663322-A PRECIPITATION UNITIKA LTD. (JP) 1997-09-02 — — US claimed
EP-0721955-A2 Diadenosine tetraphosphate tetrasodium salt dodecahydrate crystals UNITIKA LTD. (JP) 1996-07-17 — — EP claimed
JP-8193095-A — — None — — JP disclosed
EP-0721955-B1 Diadenosine tetraphosphate tetrasodium salt dodecahydrate crystals UNITIKA LTD (JP) 1999-04-07 — — EP disclosed
EP-0721955-B1 Diadenosine tetraphosphate tetrasodium salt dodecahydrate crystals UNITIKA LTD (JP) 1999-04-07 — — EP disclosed
US-5663322-A PRECIPITATION UNITIKA LTD. (JP) 1997-09-02 — — US disclosed
US-5663322-A PRECIPITATION UNITIKA LTD. (JP) 1997-09-02 — — US disclosed
JP-H08193095-A DIADENOSINETETRAPHOSPHORIC ACID TETRASODIUM SALT DODECAHYDRATE CRYSTAL UNITIKA LTD 1996-07-30 — — JP disclosed
EP-0721955-A2 Diadenosine tetraphosphate tetrasodium salt dodecahydrate crystals UNITIKA LTD. (JP) 1996-07-17 — — EP disclosed
EP-0721955-A2 Diadenosine tetraphosphate tetrasodium salt dodecahydrate crystals UNITIKA LTD. (JP) 1996-07-17 — — EP disclosed
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