Adenosine

Adenosine

SCHEMBL18917562

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=P([O-])([O-])[O-]

nearest known ligand 0.74

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 4/20 0.71
▸ ADORA1 known ✓ P30542 3/20 0.71
▸ ADORA2A known ✓ P29274 3/20 0.71
▸ ADORA2B known ✓ P29275 3/20 0.71
▸ RXFP1 Q9HBX9 1/20 0.74
▸ SLC29A1 Q99808 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ DPP4 P27487 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ SLC28A1 O00337 1/20 0.71
▸ MAP3K7 O43318 1/20 0.71
▸ SLC28A2 O43868 1/20 0.71
▸ GAPDH P04406 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ STAT6 P42226 1/20 0.71
▸ PI4KA P42356 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ PI4K2B Q8TCG2 1/20 0.71
▸ DOT1L Q8TEK3 1/20 0.71
▸ PI4K2A Q9BTU6 1/20 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 SCHEMBL1845383 0.91 RXFP1 (0.65) RXFP1ADORA3ADORA1ADORA2AADORA2B
Adenosine SCHEMBL9697455 0.91 ADORA3 (0.87) ADORA3ADORA1ADORA2AADORA2BSLC29A1
Adenosine Phosphate SCHEMBL18917563 0.90 RXFP1 (0.77) RXFP1ADORA1SMN1; SMN2EHMT1DNPH1
Adenosine SCHEMBL23093553 0.90 ADORA3 (0.85) ADORA3ADORA1ADORA2AADORA2BSLC29A1
Adenosine SCHEMBL5600395 0.90 ADORA3 (0.85) ADORA3ADORA1ADORA2AADORA2BSLC29A1
Adenosine SCHEMBL353216 0.90 ADORA3 (0.85) ADORA3ADORA1ADORA2AADORA2BSLC29A1
Adenosine Phosphate SCHEMBL8591984 0.87 P2RY1 (0.81) RXFP1ADORA1SMN1; SMN2EHMT1DNPH1
Adenosine SCHEMBL28583342 0.86 ADORA1 (0.83) ADORA3ADORA1ADORA2AADORA2BSLC29A1
Adenosine SCHEMBL353215 0.86 ADORA1 (0.83) ADORA3ADORA1ADORA2AADORA2BSLC29A1
Adenosine SCHEMBL662450 0.86 ADORA1 (0.83) ADORA3ADORA1ADORA2AADORA2BSLC29A1

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-20170159112-A1 AMPLIFIED ISOTHERMAL DETECTION OF POLYNUCLEOTIDES WITH ATP RELEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-06-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170159112-A1 AMPLIFIED ISOTHERMAL DETECTION OF POLYNUCLEOTIDES WITH ATP RELEASE NT5C2, ATP5F1B, ATP5F1D ADORA3 120/4885ADORA1 129/4885ADORA2A 258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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