Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 6/20 | 0.36 |
| ▸ | IKBKB | O14920 | 3/20 | 0.35 |
| ▸ | CHUK | O15111 | 3/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL12469765 | 0.85 | AURKA (0.40) | KDRAURKAGRM2BTKIKBKB | |
| SCHEMBL18170475 | 0.75 | KDR (0.52) | KDRGRM2PDE3BPDE3APIK3CD | |
| SCHEMBL1292744 | 0.75 | AURKA (0.48) | KDRAURKAPIK3CDPIK3CAPIK3CB | |
| SCHEMBL12469562 | 0.73 | BTK (0.42) | KDRGRM2BTKIKBKBALOX5AP | |
| SCHEMBL1292654 | 0.73 | BTK (0.57) | KDRAURKABTK | |
| SCHEMBL12469505 | 0.71 | BTK (0.41) | KDRBTK | |
| SCHEMBL29996262 | 0.71 | IKBKB (0.46) | IKBKBCHUKALOX5APFEN1CYP1A2 | |
| SCHEMBL1335395 | 0.71 | PIK3CD (0.56) | KDRAURKAGRM2PIK3CDPIK3CA | |
| SCHEMBL12469512 | 0.71 | CRBN (0.41) | BTKALOX5APFEN1 | |
| SCHEMBL12469481 | 0.71 | ALOX5 (0.40) | KDRBTK |
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-2012047017-A2 | 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME | 크리스탈지노믹스(주) (KR) | 2012-04-12 | — | — | WO | disclosed |