Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6847528 | 0.85 | GSK3B (0.57) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL15988673 | 0.85 | GSK3B (0.73) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL6848126 | 0.83 | GSK3B (0.56) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL16404274 | 0.83 | GSK3B (0.56) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL6847621 | 0.83 | GSK3B (0.56) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL6847830 | 0.82 | GSK3B (0.54) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL5524032 | 0.81 | GSK3B (0.63) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL13518109 | 0.81 | GSK3B (0.57) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL6847678 | 0.81 | GSK3B (0.57) | GSK3BNPSR1RXFP1GAACES2 | |
| SCHEMBL6847877 | 0.81 | GSK3B (0.53) | GSK3BNPSR1RXFP1GAACES2 |
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-2011055561-A1 | PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF | 独立行政法人科学技術振興機構 (JP) | 2011-05-12 | — | — | WO | disclosed |