Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4255711 | 0.93 | NPC1 (0.51) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL4258445 | 0.84 | ESR1 (0.43) | ALDH1A1RAB9ABRD4MEN1KMT2A | |
| SCHEMBL4253650 | 0.84 | APP (0.46) | ALDH1A1BRD4MEN1KMT2ANPSR1 | |
| SCHEMBL21082652 | 0.80 | BRD4 (0.64) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL21082653 | 0.79 | BRD4 (0.62) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL4253344 | 0.79 | AOC3 (0.44) | NPC1RAB9A | |
| SCHEMBL4255804 | 0.77 | ESR1 (0.64) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL4257836 | 0.77 | ALDH1A1 (0.47) | ALDH1A1BRD4MEN1KMT2ANPSR1 | |
| SCHEMBL4249588 | 0.77 | APP (0.49) | ALDH1A1RAB9ABRD4MEN1KMT2A | |
| SCHEMBL9566650 | 0.75 | CASP1 (0.83) | ALDH1A1NPC1TSHRCASP1RAB9A |
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 |