Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 4/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6091052 | 1.00 | ALK (0.41) | ALKPDPK1AKT2JAK3JAK2 | |
| SCHEMBL6092411 | 0.86 | ALK (0.41) | ALKPDPK1AKT2JAK3JAK2 | |
| SCHEMBL6092410 | 0.86 | ALK (0.41) | ALKPDPK1AKT2JAK3JAK2 | |
| SCHEMBL6102271 | 0.81 | JAK3 (0.57) | ALKPDPK1JAK3JAK2KDR | |
| SCHEMBL6102265 | 0.81 | JAK3 (0.57) | ALKPDPK1JAK3JAK2KDR | |
| SCHEMBL6091013 | 0.80 | KDR (0.56) | JAK3KDR | |
| SCHEMBL6090494 | 0.78 | ALK (0.41) | ALKPDPK1AKT2KDRALDH1A1 | |
| SCHEMBL6090504 | 0.78 | ALK (0.41) | ALKPDPK1AKT2KDRALDH1A1 | |
| SCHEMBL6090995 | 0.76 | KDR (0.49) | ALKPDPK1JAK3JAK2KDR | |
| SCHEMBL6090988 | 0.76 | KDR (0.49) | ALKPDPK1JAK3JAK2KDR |
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 1 patent. 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 |