Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.42 |
| ▸ | AKT1 | P31749 | 5/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | MAP3K12 | Q12852 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 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 | |
|---|---|---|---|---|
| SCHEMBL21453034 | 0.80 | KMT2A (0.47) | KMT2AMAP3K12CHRM3PDE4APDE4B | |
| SCHEMBL21452934 | 0.80 | KMT2A (0.42) | KMT2AGRM2MAP3K12CHRM3PDE4A | |
| SCHEMBL21453057 | 0.77 | RPS6KB1 (0.42) | RPS6KB1AKT1CYP11B2CYP11B1PDE2A | |
| SCHEMBL21452908 | 0.76 | ITGB2 (0.48) | RPS6KB1ITGB2ICAM1ITGAL | |
| SCHEMBL21452909 | 0.76 | ITGB2 (0.48) | RPS6KB1ITGB2ICAM1ITGAL | |
| SCHEMBL21452864 | 0.72 | KMO (0.47) | ITGB2ICAM1ITGAL | |
| SCHEMBL21452772 | 0.71 | KIF11 (0.38) | KMT2ACYP11B2CYP11B1PDE2A | |
| SCHEMBL21434135 | 0.70 | KMT2A (0.53) | KMT2ACYP11B2CYP11B1PDE2AGRM2 | |
| SCHEMBL3878855 | 0.68 | GALR2 (0.48) | — | |
| SCHEMBL21452865 | 0.67 | NPC1 (0.57) | RPS6KB1AKT1CYP11B2CYP11B1ITGB2 |
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 |