Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL15988673 | 0.88 | GSK3B (0.73) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL1895582 | 0.81 | GSK3B (0.63) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL5524032 | 0.81 | GSK3B (0.63) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL2070109 | 0.81 | GSK3B (0.72) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL15988678 | 0.80 | ALDH1A1 (0.72) | GSK3BCES2CES1GAAKMT2A | |
| SCHEMBL13517467 | 0.80 | GSK3B (0.53) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL13562749 | 0.80 | GSK3B (0.53) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL13562752 | 0.78 | GSK3B (0.51) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL13518578 | 0.78 | GSK3B (0.50) | GSK3BCES2CES1DAONPSR1 | |
| SCHEMBL6847671 | 0.78 | GSK3B (0.62) | GSK3BCES2CES1DAONPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8937091-B2 | Inhibitor of protein crosslinking and use of the same | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2015-01-20 | — | — | US | disclosed |
| 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 |