Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 13/20 | 0.73 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.65 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.55 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.55 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GSK3B | P49841 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.55 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.55 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.55 |
| ▸ | INSR | P06213 | 1/20 | 0.55 |
| ▸ | LCK | P06239 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | LYN | P07948 | 1/20 | 0.55 |
| ▸ | RET | P07949 | 1/20 | 0.55 |
| ▸ | IGF1R | P08069 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6090432 | 1.00 | KDR (0.73) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6091609 | 0.84 | KDR (1.00) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6091599 | 0.84 | KDR (1.00) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6091472 | 0.79 | KDR (0.67) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6088823 | 0.79 | KDR (0.64) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6091485 | 0.79 | KDR (0.67) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6088819 | 0.79 | KDR (0.64) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6088397 | 0.78 | KMT2A (0.64) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6088402 | 0.78 | KMT2A (0.64) | KDRALKNTRK1NTRK3NTRK2 | |
| SCHEMBL6092385 | 0.77 | KDR (0.71) | KDRALKNTRK1NTRK3NTRK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |