Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4255714 | 0.82 | NPC1 (0.46) | NPC1RAB9APKMTP53CYP11B2 | |
| SCHEMBL10086211 | 0.82 | NPC1 (0.53) | NPC1RAB9APKMTP53CYP11B2 | |
| SCHEMBL4251886 | 0.81 | NPC1 (0.59) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL4255757 | 0.81 | PARP1 (0.49) | NPC1RAB9APKMTP53CYP11B2 | |
| SCHEMBL29312810 | 0.79 | NPC1 (0.43) | NPC1RAB9APKMTP53CYP11B2 | |
| SCHEMBL17541790 | 0.78 | CYP11B2 (0.52) | NPC1RAB9APKMTP53CYP11B2 | |
| SCHEMBL10086445 | 0.76 | NPC1 (0.71) | NPC1RAB9APKMTP53CYP11B2 | |
| SCHEMBL4251106 | 0.75 | NPC1 (0.43) | NPC1RAB9APKMALDH1A1APP | |
| SCHEMBL4260430 | 0.74 | APP (0.43) | NPC1RAB9APKMAPP | |
| SCHEMBL4260868 | 0.74 | ESR1 (0.73) | PKMMEN1KMT2AALDH1A1HPGD |
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 |