Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 10/20 | 0.42 |
| ▸ | PRKCB | P05771 | 6/20 | 0.42 |
| ▸ | PRKCA | P17252 | 3/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.37 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.37 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6089036 | 1.00 | GSK3B (0.42) | GSK3BPRKCBPRKCAPRKCGCNR2 | |
| SCHEMBL6089032 | 0.81 | GSK3B (0.41) | GSK3BPRKCBPRKCAPRKCGCNR2 | |
| SCHEMBL6090824 | 0.81 | KDR (0.44) | GSK3BKDRNTRK1NTRK3NTRK2 | |
| SCHEMBL6089689 | 0.78 | KDR (0.52) | GSK3BKDRNTRK1NTRK3NTRK2 | |
| SCHEMBL6089682 | 0.78 | KDR (0.52) | GSK3BKDRNTRK1NTRK3NTRK2 | |
| SCHEMBL6092462 | 0.78 | GSK3B (0.49) | GSK3BPRKCBPRKCAPRKCGCNR2 | |
| SCHEMBL6092457 | 0.78 | GSK3B (0.49) | GSK3BPRKCBPRKCAPRKCGCNR2 | |
| SCHEMBL6090619 | 0.77 | GSK3B (0.44) | GSK3BPRKCBPRKCAPRKCGCNR2 | |
| SCHEMBL6090622 | 0.77 | GSK3B (0.44) | GSK3BPRKCBPRKCAPRKCGCNR2 | |
| SCHEMBL6091117 | 0.75 | CHEK1 (0.50) | KDRCHEK2CDK1PIM1SRC |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218373-A2 | 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | claimed |
| WO-2001009121-A2 | 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | claimed |
| US-7060822-B1 | 2-pyrazolin-5-ones | ABBOTT GMBH & CO. KG (DE) | 2006-06-13 | — | — | US | disclosed |
| EP-1218373-A2 | 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001009121-A2 | 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | disclosed |