Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 8/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | UBE2M | P61081 | 2/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6091334 | 1.00 | KDR (0.45) | KDRCHEK1ALKUBE2MDCUN1D1 | |
| SCHEMBL6090519 | 0.91 | KDR (0.41) | KDRCHEK1ALKUBE2MDCUN1D1 | |
| SCHEMBL6090514 | 0.91 | KDR (0.41) | KDRCHEK1ALKUBE2MDCUN1D1 | |
| SCHEMBL6090028 | 0.86 | KDR (0.40) | KDRCHEK1ALKALDH1A1MAPT | |
| SCHEMBL6088930 | 0.84 | KDR (0.51) | KDRCHEK1PDGFRBFGFR1PRKAA2 | |
| SCHEMBL6088911 | 0.84 | KDR (0.51) | KDRCHEK1PDGFRBFGFR1PRKAA2 | |
| SCHEMBL6088064 | 0.84 | ALK (0.38) | KDRCHEK1ALKPDGFRBFGFR1 | |
| SCHEMBL6088073 | 0.84 | ALK (0.38) | KDRCHEK1ALKPDGFRBFGFR1 | |
| SCHEMBL6090032 | 0.84 | KDR (0.36) | KDRCHEK1ALKALDH1A1MAPT | |
| SCHEMBL6090021 | 0.84 | KDR (0.36) | KDRCHEK1ALKALDH1A1MAPT |
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 |