Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28853811 | 0.87 | PTPN11 (0.43) | CYP2D6PTPN11ADRA1ADRD3 | |
| SCHEMBL25417808 | 0.85 | PARP2 (0.51) | ADRA1APARP2DRD2DRD3KDM4E | |
| SCHEMBL4356358 | 0.83 | PARP1 (0.57) | ADRA1APARP2 | |
| SCHEMBL16446094 | 0.81 | ADRA1A (0.46) | ADRA1A | |
| SCHEMBL3376199 | 0.77 | ADRA1A (0.49) | CYP2D6ADRA1AKDM4E | |
| SCHEMBL161226 | 0.77 | KDM4E (0.50) | CYP2D6ADRA1AKDM4E | |
| SCHEMBL21590329 | 0.77 | PARP1 (0.49) | ADRA1APARP2KDM4E | |
| SCHEMBL17866325 | 0.76 | PARP1 (0.52) | — | |
| SCHEMBL307050 | 0.76 | KDM4E (0.53) | CYP2D6ADRA1AKDM4E | |
| SCHEMBL3436631 | 0.76 | PROKR1 (0.47) | DRD4KDM4E |
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-2056829-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | Exelixis, Inc. (US) | 2009-05-13 | — | — | EP | claimed |
| WO-2008021389-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS, INC. (US) | 2008-02-21 | — | — | WO | claimed |