Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | PKM | P14618 | 3/20 | 0.60 |
| ▸ | HTR2C | P28335 | 5/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4258042 | 0.90 | NPC1 (0.60) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4253075 | 0.85 | NPC1 (0.47) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4254603 | 0.85 | NPC1 (0.51) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4251879 | 0.85 | NPC1 (0.45) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4251633 | 0.84 | HTR2C (0.58) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4253350 | 0.84 | NPC1 (0.48) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4253666 | 0.84 | HTR2C (0.58) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4256261 | 0.84 | HTR2C (0.44) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4249678 | 0.84 | CYP3A4 (0.47) | NPC1RAB9APKMHTR2CMCHR1 | |
| SCHEMBL4256269 | 0.79 | NR1H3 (0.52) | MCHR1MEN1KMT2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |