Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6847877 | 0.91 | GSK3B (0.53) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL6847528 | 0.89 | GSK3B (0.57) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL6847678 | 0.86 | GSK3B (0.57) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL13518109 | 0.86 | GSK3B (0.57) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL13518298 | 0.84 | GSK3B (0.56) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL13562751 | 0.84 | GSK3B (0.51) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL6847671 | 0.83 | GSK3B (0.62) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL5524032 | 0.83 | GSK3B (0.63) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL6847764 | 0.83 | GSK3B (0.54) | GSK3BNPSR1RXFP1GAAKDM4E | |
| SCHEMBL10351724 | 0.81 | GSK3B (0.57) | GSK3BGAAKDM4EDAOTHRA |
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 |
|---|---|---|---|---|---|---|---|
| US-8937091-B2 | Inhibitor of protein crosslinking and use of the same | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2015-01-20 | — | — | US | disclosed |