Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21189657 | 0.90 | ESR1 (0.39) | ESR1ESR2ALDH1A1 | |
| SCHEMBL21189663 | 0.88 | ESR1 (0.30) | ESR1ESR2 | |
| SCHEMBL22737749 | 0.85 | KIF11 (0.40) | KIF11CYP2C9ESR1ESR2PTPN5 | |
| SCHEMBL22991391 | 0.83 | — | — | |
| SCHEMBL21189660 | 0.82 | KIF11 (0.47) | KIF11CYP2C9ESR1ESR2AKT1 | |
| SCHEMBL21189631 | 0.82 | KIF11 (0.40) | KIF11CYP2C9ESR1ESR2AKT1 | |
| SCHEMBL21189659 | 0.80 | ESR1 (0.48) | KIF11CYP2C9ESR1ESR2AKT1 | |
| SCHEMBL22738142 | 0.79 | PDE2A (0.35) | ESR1ESR2 | |
| SCHEMBL22991378 | 0.79 | KIF11 (0.31) | KIF11 | |
| SCHEMBL21189809 | 0.77 | ESR1 (0.35) | KIF11CYP2C9ESR1ESR2RXRA |
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-2019142897-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | 三菱瓦斯化学株式会社 | 2019-07-25 | — | — | WO | disclosed |