Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.34 |
| ▸ | GSK3B | P49841 | 5/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | ROS1 | P08922 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RHOC | P08134 | 1/20 | 0.31 |
| ▸ | RHOA | P61586 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6504395 | 0.93 | PPARA (0.37) | CDK2GSK3BWDR5PPARAPPARD | |
| SCHEMBL6505045 | 0.90 | SMN1; SMN2 (0.35) | NPC1PPARAPPARDTP53 | |
| Trifluoroacetic Acid SCHEMBL6498705 | 0.90 | PPARA (0.37) | CDK2GSK3BPPARAPPARD | |
| SCHEMBL6531507 | 0.89 | PARP1 (0.36) | NPC1MAPK1PPARAPPARDMAPT | |
| SCHEMBL6494741 | 0.88 | PPARA (0.39) | CDK2GSK3BWDR5PPARAPPARD | |
| SCHEMBL6495822 | 0.88 | SHMT1 (0.39) | WDR5MAPTKLKB1 | |
| SCHEMBL6505593 | 0.87 | ADORA2A (0.35) | NPC1PPARAPPARD | |
| SCHEMBL6503597 | 0.83 | KDM4E (0.36) | NPC1MAPTKLKB1 | |
| Trifluoroacetic Acid SCHEMBL6504387 | 0.83 | PPARA (0.42) | PPARAPPARDRHOCRHOA | |
| SCHEMBL6499174 | 0.82 | ADORA1 (0.38) | NPC1WDR5MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6884821-B1 | Carboxylic acid derivatives and drugs containing the same | EISAI CO., LTD. (JP) | 2005-04-26 | — | — | US | disclosed |
| EP-1216980-A1 | CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |