Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.37 |
| ▸ | GNRHR | P30968 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28569794 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1CASRGRIN1GRIN2B | |
| SCHEMBL20061352 | 0.85 | KDM4E (0.45) | KDM4EALDH1A1CASRGRIN1GRIN2B | |
| SCHEMBL28581202 | 0.85 | KDM4E (0.45) | KDM4EALDH1A1CASRGRIN1GRIN2B | |
| SCHEMBL20067787 | 0.85 | KDM4E (0.46) | KDM4EALDH1A1CASRGRIN1GRIN2B | |
| SCHEMBL20061354 | 0.80 | SCN9A (0.41) | KDM4EALDH1A1CXCR3 | |
| SCHEMBL20081329 | 0.78 | POLB (0.51) | KDM4EALDH1A1CASRGRIN1GRIN2B | |
| SCHEMBL20081418 | 0.76 | KDM4E (0.47) | KDM4EALDH1A1CASRGRIN1GRIN2B | |
| SCHEMBL20061280 | 0.74 | KDM4E (0.45) | KDM4EALDH1A1GRIN1GRIN2BPTGDR2 | |
| SCHEMBL28563990 | 0.74 | PIK3CD (0.55) | CXCR3 | |
| SCHEMBL28563992 | 0.74 | PIK3CD (0.55) | CXCR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107690433-B | Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient | 韩国化学研究院 | 2021-04-09 | — | — | CN | disclosed |