Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | CASP1 | P29466 | 2/20 | 0.59 |
| ▸ | CASP7 | P55210 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.48 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4254027 | 0.88 | ALDH1A1 (0.66) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL16602061 | 0.88 | CA9 (0.75) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL4255818 | 0.83 | MEN1 (0.53) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL4257840 | 0.83 | ESR1 (0.73) | CA9CA12CA1ALDH1A1RAB9A | |
| SCHEMBL4249698 | 0.83 | ESR1 (0.67) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL4256208 | 0.83 | ALDH1A1 (0.50) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL4252597 | 0.81 | KMT2A (0.67) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL4258439 | 0.80 | ESR1 (0.61) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL17946664 | 0.80 | CA9 (0.54) | CA9CA12CA1CA2ALDH1A1 | |
| SCHEMBL2631566 | 0.80 | ESR1 (0.74) | CA9CA12CA1CA2ALDH1A1 |
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 |