Gr-79236

Gr-79236

SCHEMBL12355491

OC[C@H]1O[C@@H](n2cnc3c(NC4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 1.00
▸ ADORA1 P30542 6/20 1.00
▸ ADORA2A P29274 5/20 1.00
▸ ADORA2B P29275 4/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ TSHR P16473 3/20 0.76
▸ PMP22 Q01453 2/20 0.76
▸ HIF1A Q16665 2/20 0.76
▸ GAA P10253 1/20 0.76
▸ HTT P42858 1/20 0.76
▸ SIGMAR1 Q99720 1/20 0.76
▸ SLC29A1 Q99808 1/20 0.76
▸ RXFP1 Q9HBX9 1/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ TP53 P04637 1/20 0.76
▸ NFKB1 P19838 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ CYP2C19 P33261 1/20 0.75

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
Gr-79236 SCHEMBL9791896 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL1684871 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL472413 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL22452097 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL24437080 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL2779193 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL24437079 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL24436934 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL21033425 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL1101275 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6

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
US-20110207689-A1 THE TREATMENT OF HEARING LOSS AUCKLAND UNISERVICES LIMITED 2011-08-25 — — US disclosed
US-20110207689-A1 THE TREATMENT OF HEARING LOSS AUCKLAND UNISERVICES LIMITED 2011-08-25 — — 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-20110207689-A1 THE TREATMENT OF HEARING LOSS ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885

“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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