Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.58 |
| ▸ | MTOR | P42345 | 7/20 | 0.54 |
| ▸ | CDK1 | P06493 | 6/20 | 0.54 |
| ▸ | SMG1 | Q96Q15 | 6/20 | 0.54 |
| ▸ | CDK2 | P24941 | 5/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.52 |
| ▸ | FLT3 | P36888 | 2/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | MET | P08581 | 1/20 | 0.52 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.52 |
| ▸ | FLT1 | P17948 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12801659 | 0.96 | MTOR (0.58) | IKBKBMTORCDK1SMG1CDK2 | |
| SCHEMBL12275463 | 0.88 | IKBKB (0.50) | IKBKBMTORCDK1SMG1CDK2 | |
| SCHEMBL14253959 | 0.87 | IKBKB (0.67) | IKBKBMTORCDK1SMG1CDK2 | |
| SCHEMBL12275342 | 0.84 | CDK1 (0.53) | IKBKBMTORCDK1SMG1CDK2 | |
| SCHEMBL12522222 | 0.83 | ABL1 (0.51) | MTORCDK1CDK2CDK5FLT3 | |
| SCHEMBL3517971 | 0.81 | IKBKB (0.53) | IKBKBMTORCDK1SMG1CDK2 | |
| SCHEMBL3519883 | 0.81 | IKBKB (0.52) | IKBKBMTORCDK1SMG1CDK2 | |
| SCHEMBL3521823 | 0.81 | IKBKB (0.66) | IKBKBCDK1CDK2GSK3BCDK9 | |
| SCHEMBL12801118 | 0.81 | CDK5 (0.73) | IKBKBCDK2CDK5FLT3ABL1 | |
| SCHEMBL12801601 | 0.80 | ABL1 (0.50) | MTORCDK1SMG1CDK2CDK5 |
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 |