Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 9/20 | 0.42 |
| ▸ | AKT1 | P31749 | 9/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21453065 | 0.88 | HRH4 (0.39) | RPS6KB1AKT1NOTUMHRH4CYP11B2 | |
| SCHEMBL21452873 | 0.85 | CYP11B2 (0.41) | RPS6KB1AKT1NOTUMHRH4CYP11B2 | |
| SCHEMBL21453056 | 0.84 | PDE2A (0.38) | HRH4TRPA1PDE2AGRM2 | |
| SCHEMBL21452862 | 0.77 | KMT2A (0.44) | RPS6KB1AKT1CYP11B2CYP11B1PDE2A | |
| SCHEMBL21453060 | 0.75 | CYP11B1 (0.41) | NOTUMHRH4CYP11B2CYP11B1TRPA1 | |
| SCHEMBL21434084 | 0.74 | ITGB2 (0.45) | HRH4CYP11B2CYP11B1 | |
| SCHEMBL21452940 | 0.73 | ABL1 (0.42) | HRH4PDE2A | |
| SCHEMBL21453061 | 0.73 | HRH4 (0.39) | HRH4TRPA1PDE2AGRM2 | |
| SCHEMBL21452872 | 0.73 | HRH4 (0.39) | HRH4TRPA1PDE2AGRM2 | |
| SCHEMBL22186379 | 0.69 | NOTUM (0.45) | NOTUMHRH4 |
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 |