Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 6/20 | 0.39 |
| ▸ | PRF1 | P14222 | 1/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6092658 | 1.00 | SIRT1 (0.51) | SIRT1CYP2A6MAOBMAP4K1PRF1 | |
| SCHEMBL6091551 | 0.83 | PRF1 (0.41) | MAOBPRF1MAPTNPSR1MAPK1 | |
| SCHEMBL6091554 | 0.83 | PRF1 (0.41) | MAOBPRF1MAPTNPSR1MAPK1 | |
| SCHEMBL6091687 | 0.76 | ALDH1A1 (0.51) | — | |
| SCHEMBL6091683 | 0.76 | ALDH1A1 (0.51) | — | |
| SCHEMBL6089464 | 0.76 | SIRT1 (0.50) | SIRT1CYP2A6MAOBMAP4K1PRF1 | |
| SCHEMBL6089471 | 0.76 | SIRT1 (0.50) | SIRT1CYP2A6MAOBMAP4K1PRF1 | |
| SCHEMBL6091838 | 0.75 | PARP1 (0.36) | PARP1TNKS2 | |
| SCHEMBL6089770 | 0.75 | KDR (0.55) | SIRT1CYP2A6MAOBMAP4K1PRF1 | |
| SCHEMBL6089777 | 0.75 | KDR (0.55) | SIRT1CYP2A6MAOBMAP4K1PRF1 |
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 |