Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.69 |
| ▸ | RAB9A | P51151 | 5/20 | 0.69 |
| ▸ | PKM | P14618 | 3/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4253656 | 0.84 | NPC1 (0.62) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL5579208 | 0.82 | NPC1 (1.00) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL29611011 | 0.82 | NPC1 (1.00) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL4188221 | 0.81 | NPC1 (1.00) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL29874794 | 0.81 | NPC1 (1.00) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL4250783 | 0.81 | NPC1 (0.56) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL4257849 | 0.81 | NPC1 (0.56) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL10086418 | 0.81 | NPC1 (0.64) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL31529590 | 0.80 | NPC1 (0.96) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| SCHEMBL4253069 | 0.80 | CYP11B2 (0.55) | NPC1RAB9APKMSMN1; SMN2TP53 |
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 |