Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | GRM5 | P41594 | 4/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 0.33 |
| ▸ | ATP4B | P51164 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2719426 | 0.78 | PARP1 (0.39) | PARP1KDM4EGRM5TRPA1CDC7 | |
| SCHEMBL2720726 | 0.75 | RAB9A (0.44) | KDM4ELMNAMAPT | |
| SCHEMBL11069386 | 0.74 | KDM4E (0.41) | PARP1KDM4EGRM5CDC7AURKA | |
| SCHEMBL2718617 | 0.74 | MAOA (0.42) | KDM4ELMNAMAPT | |
| SCHEMBL2719309 | 0.73 | — | — | |
| SCHEMBL247016 | 0.71 | DRD4 (0.38) | KDM4ELMNAMAPTCYP2D6 | |
| SCHEMBL2719152 | 0.71 | HAVCR2 (0.52) | PARP1KDM4EGRM5CDC7AURKA | |
| SCHEMBL2721088 | 0.71 | PARP1 (0.37) | PARP1GRM5CDC7AURKAPRKD3 | |
| SCHEMBL2720011 | 0.70 | KMT2A (0.43) | PARP1GRM5CDC7AURKAPRKD3 | |
| SCHEMBL2718645 | 0.70 | POLB (0.37) | PARP1LMNATP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2635565-A1 | 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS | Amgen Inc. (US) | 2013-09-11 | — | — | EP | disclosed |
| WO-2012061696-A1 | 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS | AMGEN INC. (US) | 2012-05-10 | — | — | WO | disclosed |