Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | CTSV | O60911 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | PRF1 | P14222 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL6088928 | 1.00 | SIRT1 (0.45) | SIRT1MAOBCYP2A6KDRCTSV | |
| SCHEMBL6088931 | 0.84 | PRF1 (0.43) | MAOBKDRPRF1MAPTNPSR1 | |
| SCHEMBL6088927 | 0.84 | PRF1 (0.43) | MAOBKDRPRF1MAPTNPSR1 | |
| SCHEMBL6089770 | 0.82 | KDR (0.55) | SIRT1MAOBCYP2A6KDRPRF1 | |
| SCHEMBL6089777 | 0.82 | KDR (0.55) | SIRT1MAOBCYP2A6KDRPRF1 | |
| SCHEMBL6089681 | 0.77 | KDR (0.55) | SIRT1MAOBCYP2A6KDRAMY1A | |
| SCHEMBL6089675 | 0.77 | KDR (0.55) | SIRT1MAOBCYP2A6KDRAMY1A | |
| SCHEMBL6089871 | 0.77 | KDR (0.34) | KDRMAPTRET | |
| SCHEMBL6089866 | 0.77 | KDR (0.34) | KDRMAPTRET | |
| SCHEMBL6090038 | 0.77 | SIRT1 (0.47) | SIRT1MAOBCYP2A6KDRAMY1A |
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 |