Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 7/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.44 |
| ▸ | ITK | Q08881 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 3/20 | 0.41 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 4/20 | 0.40 |
| ▸ | SRC | P12931 | 3/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.40 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17413472 | 0.88 | CXCR2 (0.44) | AURKAAURKBITKCCNA2CDK2 | |
| SCHEMBL17397998 | 0.88 | CXCR2 (0.44) | AURKAAURKBITKCCNA2CDK2 | |
| SCHEMBL17413375 | 0.84 | NTRK1 (0.44) | AURKAAURKBITKJAK2JAK3 | |
| SCHEMBL17413377 | 0.84 | NTRK1 (0.44) | AURKAAURKBITKJAK2JAK3 | |
| SCHEMBL17398058 | 0.83 | AURKA (0.49) | AURKAAURKBITKJAK2JAK3 | |
| SCHEMBL17397951 | 0.81 | AURKA (0.43) | AURKAAURKBITKJAK2JAK3 | |
| SCHEMBL17397940 | 0.81 | AURKA (0.43) | AURKAAURKBITKJAK2JAK3 | |
| SCHEMBL17397974 | 0.81 | AURKA (0.48) | AURKAAURKBITKJAK2JAK3 | |
| SCHEMBL17413479 | 0.81 | ITK (0.52) | AURKAAURKBITKJAK2JAK3 | |
| SCHEMBL17413478 | 0.81 | ITK (0.52) | AURKAAURKBITKJAK2JAK3 |
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-2016001341-A1 | SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-01-07 | — | — | WO | disclosed |