Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4250029 | 0.85 | NPC1 (0.63) | NPC1RAB9APKMPOLBMELK | |
| SCHEMBL4251146 | 0.83 | APP (0.45) | NPC1RAB9APKMMAOBMAOA | |
| SCHEMBL4254603 | 0.83 | NPC1 (0.51) | NPC1RAB9APKMMAOBMAOA | |
| SCHEMBL4250783 | 0.82 | NPC1 (0.56) | NPC1RAB9APKMPARP1KDM4E | |
| SCHEMBL4254816 | 0.82 | NPC1 (0.43) | NPC1RAB9APKMPARP1HTR2C | |
| SCHEMBL10085802 | 0.82 | NPC1 (0.59) | NPC1RAB9APKMPOLBMELK | |
| SCHEMBL4251886 | 0.82 | NPC1 (0.59) | NPC1RAB9APKMPOLBMELK | |
| SCHEMBL4255757 | 0.81 | PARP1 (0.49) | NPC1RAB9APKMMAOBMAOA | |
| SCHEMBL17541801 | 0.81 | NPC1 (0.58) | NPC1RAB9APKMMAOBPOLB | |
| SCHEMBL4258064 | 0.81 | PARP1 (0.46) | NPC1RAB9APKMPARP1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009054653-A2 | ISOINDOLONES WITH HIGH BINDING AFFINITY TO BETA-AMYLOID AGGREGATES AND FIBRILS, AND ITS USE AND PREPARATION METHOD | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2009-04-30 | — | — | WO | claimed |
| WO-2009054653-A2 | ISOINDOLONES WITH HIGH BINDING AFFINITY TO BETA-AMYLOID AGGREGATES AND FIBRILS, AND ITS USE AND PREPARATION METHOD | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2009-04-30 | — | — | WO | disclosed |