Sugi Predict

Sugi Predict / Compounds / Adenosine

Adenosine

Adenosine

SCHEMBL3194871

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.91

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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 16)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.91
▸ P2RY1 P47900 4/20 0.61
▸ P2RY2 P41231 2/20 0.61
▸ P2RX1 P51575 2/20 0.61
▸ P2RX3 P56373 2/20 0.61
▸ P2RX2 Q9UBL9 2/20 0.61
▸ SRC P12931 1/20 0.61
▸ P2RX4 Q99571 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MACROD2 A1Z1Q3 1/20 0.60
▸ SIRT6 Q8N6T7 1/20 0.60
▸ MACROD1 Q9BQ69 1/20 0.60
▸ TRPM2 O94759 1/20 0.60
▸ RNASEL Q05823 2/20 0.59
▸ PARG Q86W56 1/20 0.58

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
SCHEMBL13421167 0.95 DTYMK (1.00) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL16480319 0.95 DTYMK (1.00) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL26031192 0.95 DTYMK (1.00) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL12548879 0.95 DTYMK (1.00) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL31061664 0.95 DTYMK (1.00) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL27294798 0.93 DTYMK (0.95) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL12569114 0.92 DTYMK (0.92) DTYMKP2RY1P2RY2P2RX1P2RX3
Deoxyadenosine SCHEMBL3817507 0.91 DTYMK (0.85) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL10496396 0.91 DTYMK (0.89) DTYMKP2RY1P2RY2P2RX1P2RX3
SCHEMBL10496373 0.89 DTYMK (0.77) DTYMKP2RY1P2RY2SRCSMN1; SMN2

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-7682809-B2 Direct ATP release sequencing AGILENT TECHNOLOGIES, INC. (US) 2010-03-23 — — US claimed
US-20090181374-A1 DIRECT ATP RELEASE SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-07-16 — — US claimed
US-7682809-B2 Direct ATP release sequencing AGILENT TECHNOLOGIES, INC. (US) 2010-03-23 — — US disclosed
US-20090181374-A1 DIRECT ATP RELEASE SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-07-16 — — US disclosed