Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3852593 | 0.78 | MAP3K14 (0.51) | KDRFYNCYP2A6PDPK1MAP3K14 | |
| SCHEMBL4253849 | 0.75 | CHEK1 (0.50) | KDRFYN | |
| SCHEMBL3784434 | 0.72 | HSP90AA1 (0.38) | PDPK1 | |
| SCHEMBL3781182 | 0.72 | KDR (0.66) | KDRCYP2A6PDPK1 | |
| SCHEMBL4260578 | 0.67 | PIK3CA (0.46) | TGFBR1 | |
| SCHEMBL28730895 | 0.64 | DYRK1A (0.57) | KDRFYN | |
| SCHEMBL5256310 | 0.63 | KDR (1.00) | KDRPDPK1 | |
| SCHEMBL13745168 | 0.62 | TGFBR1 (0.41) | TGFBR1 | |
| SCHEMBL28154527 | 0.60 | PDPK1 (0.56) | CYP2A6PDPK1 | |
| SCHEMBL6850518 | 0.60 | PDPK1 (0.53) | CYP2A6PDPK1 |
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 |