Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | RET | P07949 | 3/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.38 |
| ▸ | FLT3 | P36888 | 3/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7150198 | 1.00 | AURKA (0.45) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL5999815 | 0.84 | AURKA (0.63) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL7154860 | 0.81 | PDGFRB (0.49) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL7154856 | 0.81 | PDGFRB (0.49) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL6001664 | 0.80 | AURKA (0.63) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL8474631 | 0.79 | AURKA (0.66) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL7136062 | 0.74 | KMT2A (0.51) | MAPK1SMN1; SMN2CYP1A2CYP2C9HPGD | |
| SCHEMBL6405084 | 0.71 | AURKA (0.54) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL6405087 | 0.71 | AURKA (0.54) | AURKAPDGFRBKDRRETFGFR1 | |
| SCHEMBL6406125 | 0.71 | PDGFRB (0.62) | AURKAPDGFRBKDRRETFGFR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6528653-B2 | E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders | HOFFMANN-LA ROCHE, INC. | 2003-03-04 | — | — | US | disclosed |