Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 4/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 3/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12448386 | 0.84 | TBK1 (0.50) | AAK1CHEK1CHEK2AKT1JAK2 | |
| SCHEMBL12801634 | 0.77 | KMO (0.50) | AAK1KMOJAK2 | |
| SCHEMBL12801517 | 0.76 | XDH (0.57) | AAK1KMOXDH | |
| SCHEMBL12801129 | 0.76 | JAK2 (0.69) | IRAK4AAK1CHEK1CHEK2AKT1 | |
| SCHEMBL12801515 | 0.75 | KMO (0.56) | KMOXDH | |
| SCHEMBL12801571 | 0.73 | KMO (0.51) | KMO | |
| SCHEMBL12801501 | 0.73 | KMO (0.47) | KMOTBK1 | |
| SCHEMBL19175491 | 0.69 | DHFR (0.43) | DHFRDCPSIRAK4BACE1CHEK1 | |
| SCHEMBL25257064 | 0.68 | NOS3 (0.49) | DHFRDCPSIRAK4BACE1 | |
| SCHEMBL12408680 | 0.67 | MEN1 (0.61) | KMOJAK2 |
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-2011046970-A1 | AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON | MYREXIS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |