Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.38 |
| ▸ | MTOR | P42345 | 7/20 | 0.38 |
| ▸ | SCD | O00767 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16754340 | 1.00 | KCNH2 (0.40) | KCNH2HRH3KDM5APIK3CAMTOR | |
| SCHEMBL16238610 | 0.94 | KCNH2 (0.42) | KCNH2HRH3KDM5APIK3CAMTOR | |
| SCHEMBL16754650 | 0.83 | USP30 (0.40) | HRH3SCDPDE10A | |
| SCHEMBL16239247 | 0.83 | USP30 (0.40) | HRH3SCDPDE10A | |
| SCHEMBL17768048 | 0.83 | USP30 (0.40) | HRH3SCDPDE10A | |
| SCHEMBL17778404 | 0.83 | KDM5A (0.36) | KCNH2HRH3KDM5ASCDPIM1 | |
| SCHEMBL16754417 | 0.81 | KDM5A (0.39) | KCNH2HRH3KDM5APIK3CAMTOR | |
| SCHEMBL19699628 | 0.81 | CHRNB2 (0.36) | KCNH2PIM1PDE10A | |
| SCHEMBL17778324 | 0.81 | PDE10A (0.35) | KCNH2HRH3KDM5ASCDPIM1 | |
| SCHEMBL17778707 | 0.80 | CHRM4 (0.38) | KCNH2HRH3KDM5ASCDPIM1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016079709-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |
| WO-2016081692-A2 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-05-26 | — | — | WO | disclosed |