Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 11/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6089681 | 1.00 | KDR (0.55) | KDRCHEK1SIRT1IDO1METAP2 | |
| SCHEMBL6090055 | 0.83 | KDR (0.59) | KDRCHEK1IDO1MAOB | |
| SCHEMBL6090067 | 0.83 | KDR (0.59) | KDRCHEK1IDO1MAOB | |
| SCHEMBL6092766 | 0.83 | CYP19A1 (0.49) | KDRSIRT1CYP2A6MAOBMAP4K1 | |
| SCHEMBL6092761 | 0.83 | CYP19A1 (0.49) | KDRSIRT1CYP2A6MAOBMAP4K1 | |
| SCHEMBL6089777 | 0.80 | KDR (0.55) | KDRSIRT1IDO1CYP2A6AMY1A | |
| SCHEMBL6089770 | 0.80 | KDR (0.55) | KDRSIRT1IDO1CYP2A6AMY1A | |
| SCHEMBL6088902 | 0.79 | SIRT1 (0.44) | KDRSIRT1IDO1CYP2A6AMY1A | |
| SCHEMBL6088905 | 0.79 | SIRT1 (0.44) | KDRSIRT1IDO1CYP2A6AMY1A | |
| SCHEMBL6090173 | 0.78 | KDR (0.55) | KDRCHEK1 |
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 |