Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL6089196 | 1.00 | SIRT1 (0.46) | SIRT1CYP2A6MAOBNPC1RAB9A | |
| SCHEMBL6091571 | 0.91 | SIRT1 (0.42) | SIRT1CYP2A6MAOBAMY1AIDO1 | |
| SCHEMBL6090355 | 0.91 | SIRT1 (0.42) | SIRT1CYP2A6MAOBNPC1RAB9A | |
| SCHEMBL6091646 | 0.91 | SIRT1 (0.42) | SIRT1CYP2A6MAOBNPC1RAB9A | |
| SCHEMBL6091156 | 0.90 | SIRT1 (0.40) | SIRT1CYP2A6MAOBHRH4IDO1 | |
| SCHEMBL6089019 | 0.87 | SIRT1 (0.40) | SIRT1CYP2A6MAOBAMY1A | |
| SCHEMBL6087932 | 0.85 | KDM4E (0.45) | MAOBNPC1RAB9AHTTSMN1; SMN2 | |
| SCHEMBL6087938 | 0.85 | KDM4E (0.45) | MAOBNPC1RAB9AHTTSMN1; SMN2 | |
| SCHEMBL6091179 | 0.85 | SMN1; SMN2 (0.38) | SIRT1NPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL6092889 | 0.78 | KDR (0.34) | NPC1RAB9AHTTSMN1; SMN2MAPT |
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 |