Inosine

Inosine

SCHEMBL18048494

NCC(=O)O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Inosine. 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 0.67
▸ ADORA2A known ✓ P29274 1/20 0.67
▸ ADORA2B known ✓ P29275 1/20 0.67
▸ ADORA1 known ✓ P30542 1/20 0.67
▸ SLC29A1 Q99808 5/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ DPP4 P27487 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ SLC28A1 O00337 1/20 0.67
▸ MAP3K7 O43318 1/20 0.67
▸ SLC28A2 O43868 1/20 0.67
▸ GAPDH P04406 1/20 0.67
▸ STAT6 P42226 1/20 0.67
▸ PI4KA P42356 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ PI4K2B Q8TCG2 1/20 0.67
▸ DOT1L Q8TEK3 1/20 0.67
▸ PI4K2A Q9BTU6 1/20 0.67
▸ SLC28A3 Q9HAS3 1/20 0.67

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
Inosine SCHEMBL4110068 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL18653532 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL12763613 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL330178 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL2229394 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL298755 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL2046912 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL15804 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL20138477 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1
Inosine SCHEMBL6748954 0.91 SLC29A1 (0.75) SLC29A1MAPK1SMN1; SMN2DPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268041-A1 DOSING STRATEGIES FOR TARGETING EPCAM POSITIVE BLADDER CANCER Viventia Bio Inc. (CA) 2018-01-17 — — EP disclosed
WO-2016145354-A1 DOSING STRATEGIES FOR TARGETING EPCAM POSITIVE BLADDER CANCER VIVENTIA BIO INC. (CA) 2016-09-15 — — WO disclosed
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