Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | STK4 | Q13043 | 1/20 | 0.37 |
| ▸ | STK3 | Q13188 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | SMO | Q99835 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2018209 | 0.93 | BTK (0.36) | CNR2AKT1L3MBTL1NPC1ALOX12 | |
| SCHEMBL2014688 | 0.93 | NPC1 (0.37) | L3MBTL1NPC1ALOX12RAB9ABTK | |
| SCHEMBL2014572 | 0.88 | AKT1 (0.38) | CNR2AKT1STK3SMOSUV39H2 | |
| SCHEMBL2014980 | 0.87 | SLC40A1 (0.38) | CNR2STK4STK3LRRK2L3MBTL1 | |
| SCHEMBL2014977 | 0.87 | SLC40A1 (0.38) | CNR2STK4STK3LRRK2L3MBTL1 | |
| SCHEMBL2017050 | 0.86 | SLC40A1 (0.40) | STK4STK3LRRK2L3MBTL1NPC1 | |
| Trifluoroacetic Acid SCHEMBL2013515 | 0.84 | SLC40A1 (0.36) | L3MBTL1RAB9AAURKAAURKB | |
| SCHEMBL2016572 | 0.84 | NPC1 (0.42) | CNR2AKT1STK4STK3LRRK2 | |
| SCHEMBL2015211 | 0.84 | AXL (0.32) | L3MBTL1RAB9A | |
| SCHEMBL2013328 | 0.84 | L3MBTL1 (0.45) | CNR2SMOL3MBTL1NPC1ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | claimed |
| WO-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | disclosed |