Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.66 |
| ▸ | PKM | P14618 | 7/20 | 0.52 |
| ▸ | FLT3 | P36888 | 3/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5256310 | 0.80 | KDR (1.00) | KDRFLT3PDPK1 | |
| SCHEMBL3852593 | 0.75 | MAP3K14 (0.51) | KDRFLT3PDPK1PIK3CACYP2A6 | |
| SCHEMBL16796241 | 0.74 | FLT3 (0.57) | KDRPKMFLT3DYRK1AMIF | |
| SCHEMBL3784431 | 0.72 | KDR (0.46) | KDRPDPK1CYP2A6 | |
| SCHEMBL2650330 | 0.72 | FLT3 (0.74) | KDRPKMFLT3DYRK1AMIF | |
| SCHEMBL15757581 | 0.71 | FLT3 (0.68) | KDRPKMFLT3DYRK1AMIF | |
| SCHEMBL73095 | 0.71 | PKM (0.53) | KDRPKMFLT3MIFIRAK4 | |
| SCHEMBL31734333 | 0.70 | PKM (0.51) | PKMFLT3DYRK1AMIFIRAK4 | |
| SCHEMBL29822550 | 0.69 | KDR (0.68) | KDRPKMFLT3DYRK1AMIF | |
| SCHEMBL29613692 | 0.68 | DYRK1A (0.57) | PKMFLT3DYRK1AMIFIRAK4 |
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-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |