Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27595397 | 0.85 | EGFR (0.54) | AURKAAURKBABCG2ABCB1MEN1 | |
| SCHEMBL27596731 | 0.85 | MEN1 (0.43) | AURKAAURKBABCG2ABCB1MEN1 | |
| SCHEMBL2204403 | 0.81 | AURKA (0.56) | AURKAAURKBABCG2TOP2ATOP2B | |
| SCHEMBL27578986 | 0.81 | PDE5A (0.47) | AURKAAURKBABCG2ABCB1MEN1 | |
| SCHEMBL27579001 | 0.81 | CYP1A2 (0.49) | AURKAAURKBMEN1KMT2APDE5A | |
| SCHEMBL2202920 | 0.80 | AURKA (0.77) | AURKAAURKBSRCGSK3BAURKC | |
| SCHEMBL27579006 | 0.80 | ABCG2 (0.44) | AURKAAURKBABCG2ABCB1MEN1 | |
| SCHEMBL27578987 | 0.79 | GSK3B (0.41) | AURKAAURKBABCG2ABCB1MEN1 | |
| SCHEMBL27596709 | 0.79 | GSK3B (0.45) | AURKAAURKBABCG2ABCB1MEN1 | |
| SCHEMBL27578992 | 0.78 | PDE5A (0.45) | AURKAAURKBABCG2ABCB1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100408573-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA (US) | 2008-08-06 | — | — | CN | claimed |
| CN-1486311-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | claimed |