Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6088155 | 0.83 | CYP3A4 (0.38) | KDM4EALDH1A1HPGDHSD17B10CHEK1 | |
| SCHEMBL6088559 | 0.83 | KDR (0.46) | ALDH1A1TSHRCHEK1KDRPOLB | |
| SCHEMBL6091127 | 0.81 | KDR (0.40) | ALDH1A1TSHRCHEK1KDR | |
| SCHEMBL6088913 | 0.80 | KDR (0.39) | ALDH1A1TSHRCHEK1KDR | |
| SCHEMBL5358334 | 0.79 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10CHEK1 | |
| SCHEMBL22869176 | 0.77 | ALDH1A1 (0.31) | ALDH1A1POLBKMT2A | |
| SCHEMBL5405508 | 0.76 | KDR (0.41) | KDM4EALDH1A1CHEK1KDRKMT2A | |
| SCHEMBL6088627 | 0.75 | — | — | |
| SCHEMBL7114604 | 0.73 | TSHR (0.38) | ALDH1A1TSHR | |
| SCHEMBL6088532 | 0.73 | CHEK1 (0.34) | ALDH1A1CHEK1POLBKMT2A |
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 |