Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.80 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | CASP1 | P29466 | 2/20 | 0.63 |
| ▸ | CASP7 | P55210 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | APAF1 | O14727 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | ANPEP | P15144 | 3/20 | 0.51 |
| ▸ | DPP4 | P27487 | 3/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9632877 | 0.91 | ESR1 (0.96) | ESR1ESR2NPC1RAB9AALDH1A1 | |
| SCHEMBL5530724 | 0.89 | ESR1 (1.00) | ESR1ESR2NPC1RAB9AAPAF1 | |
| SCHEMBL9566650 | 0.85 | CASP1 (0.83) | ESR1ESR2NPC1RAB9AALDH1A1 | |
| SCHEMBL13899540 | 0.84 | ESR1 (0.83) | ESR1ESR2NPC1RAB9AALDH1A1 | |
| SCHEMBL8995319 | 0.83 | CASP1 (0.86) | ESR1ESR2NPC1RAB9AALDH1A1 | |
| SCHEMBL9566633 | 0.83 | ESR1 (0.73) | ESR1ESR2NPC1RAB9AALDH1A1 | |
| SCHEMBL8615277 | 0.82 | ESR1 (1.00) | ESR1ESR2NPC1RAB9AAPAF1 | |
| SCHEMBL15431051 | 0.82 | NPC1 (0.67) | ESR1ESR2NPC1RAB9AALDH1A1 | |
| SCHEMBL9631792 | 0.81 | ESR1 (0.77) | ESR1ESR2ALDH1A1APAF1POLB | |
| SCHEMBL9630669 | 0.81 | ESR1 (0.77) | ESR1ESR2APAF1POLBNPSR1 |
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 |