Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29237804 | 0.78 | FABP4 (0.41) | PLK1FABP4ALDH1A1ESR1HPGD | |
| SCHEMBL26669292 | 0.76 | FABP4 (0.36) | PLK1FABP4 | |
| SCHEMBL26669291 | 0.76 | FABP4 (0.45) | PLK1FABP4ALDH1A1KDM4EGAA | |
| SCHEMBL6215723 | 0.71 | S1PR1 (0.49) | PLK1 | |
| SCHEMBL2597832 | 0.69 | FABP4 (0.53) | FABP4ALDH1A1ESR1HSD11B1ENPP1 | |
| SCHEMBL19787487 | 0.69 | TDO2 (0.44) | ALDH1A1KDM4EHPGDALOX15MAPK1 | |
| SCHEMBL28431086 | 0.69 | GYS1 (0.44) | PLK1FABP4ALDH1A1HPGDHSD11B1 | |
| SCHEMBL27843612 | 0.69 | HSD11B1 (0.44) | PLK1HSD11B1 | |
| Benzene SCHEMBL29143034 | 0.68 | AR (0.50) | ALDH1A1HPGDHSD11B1CNR2 | |
| SCHEMBL15913258 | 0.68 | AR (0.50) | ALDH1A1HPGDHSD11B1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105384657-A | Catalyst ligand, catalyst and preparation methods and application thereof | UNIV SCIENCE & TECH CHINA | 2016-03-09 | — | — | CN | disclosed |