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Sugi Predict / Compounds / Fluorescein

Fluorescein

Fluorescein

SCHEMBL5151644

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3

The experimentally established mechanism targets of Fluorescein. 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 3/20 0.58
▸ ADORA2A known ✓ P29274 1/20 0.58
▸ ADORA2B known ✓ P29275 1/20 0.58
▸ ADORA1 known ✓ P30542 1/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SLC29A1 Q99808 2/20 0.58
▸ DPP4 P27487 1/20 0.58
▸ SLC28A1 O00337 1/20 0.58
▸ MAP3K7 O43318 1/20 0.58
▸ SLC28A2 O43868 1/20 0.58
▸ GAPDH P04406 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ STAT6 P42226 1/20 0.58
▸ PI4KA P42356 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PI4K2B Q8TCG2 1/20 0.58
▸ DOT1L Q8TEK3 1/20 0.58
▸ PI4K2A Q9BTU6 1/20 0.58
▸ SLC28A3 Q9HAS3 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
SCHEMBL6712498 0.84 ABCB1 (0.58) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL6709321 0.84 NT5E (0.57) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
Fluorescein SCHEMBL1434704 0.81 STING1 (0.65) KMT2ABLM
Adenosine SCHEMBL22323627 0.78 ADORA3 (0.83) ADORA3MEN1KMT2ASLC29A1DPP4
Fluorescein SCHEMBL3485550 0.78 FTO (0.69) MEN1KMT2ASMN1; SMN2POLBMAPT
Fluorescein SCHEMBL1034246 0.78 FTO (0.69) MEN1KMT2ASMN1; SMN2POLBMAPT
Adenosine SCHEMBL27823321 0.77 ADORA3 (0.89) ADORA3MEN1KMT2ASLC29A1DPP4
Adenosine SCHEMBL28830011 0.77 ADORA3 (0.87) ADORA3MEN1KMT2ASLC29A1DPP4
Adenosine SCHEMBL1668795 0.76 ADORA3 (0.66) ADORA3MEN1KMT2ASLC29A1DPP4
Adenosine SCHEMBL23420216 0.76 ADORA3 (1.00) ADORA3MEN1KMT2ASLC29A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751151-A1 PYRAZOLO '3,4-B! PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE TYPE 4 (PDE4) INHIBITORS GLAXO GROUP LIMITED (GB) 2007-02-14 — — EP disclosed
EP-1740590-A1 PYRAZOLO [3,4- b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-10 — — EP disclosed
EP-1735314-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUND, AND ITS USE AS A PDE4 INHIBITOR GLAXO GROUP LIMITED (GB) 2006-12-27 — — EP disclosed
WO-2005090352-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUND, AND ITS USE AS A PDE4 INHIBITOR GLAXO GROUP LIMITED (GB) 2005-09-29 — — WO disclosed
WO-2005090354-A1 PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 — — WO disclosed
WO-2005090348-A1 PYRAZOLO ’3,4-B! PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE TYPE 4 (PDE4) INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 — — WO disclosed
EP-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 — — EP disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 — — WO disclosed