Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP1 | P63208 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.40 |
| ▸ | FEN1 | P39748 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21433956 | 0.89 | CNR1 (0.44) | KMOHRH4PDE4BPDE4DPDE4A | |
| SCHEMBL21434053 | 0.89 | SMPD3 (0.43) | HRH4SYKCKS1BSKP1SKP2 | |
| SCHEMBL21433908 | 0.88 | KRAS (0.46) | HRH4SYKCHEK1CKS1BSKP1 | |
| SCHEMBL21434068 | 0.87 | SMPD3 (0.52) | PDE4BPDE4DCCNCCDK8SMPD3 | |
| SCHEMBL21434084 | 0.87 | ITGB2 (0.45) | HRH4SYKCCNCCDK8SMPD3 | |
| SCHEMBL21434103 | 0.86 | CYP11B2 (0.46) | HRH4SMOSYKCHEK1CKS1B | |
| SCHEMBL21433960 | 0.85 | EPHX2 (0.46) | SYKCCNCCDK8SMPD3 | |
| SCHEMBL21452911 | 0.85 | ITGB2 (0.45) | HRH4SMOSYKCKS1BSKP1 | |
| SCHEMBL21433962 | 0.84 | SMPD3 (0.42) | HRH4PDE4DCCNCCDK8SMPD3 | |
| SCHEMBL21433964 | 0.83 | ITGB2 (0.50) | KMOPDE4BPDE4DPDE4APDE4C |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019193516-A2 | SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-10-10 | — | — | WO | disclosed |