Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.51 |
| ▸ | STAT1 | P42224 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL585528 | 0.89 | STAT3 (0.62) | STAT3STAT1AURKANR1I2CYP1A2 | |
| SCHEMBL31055740 | 0.89 | STAT3 (0.62) | STAT3STAT1AURKANR1I2CYP1A2 | |
| SCHEMBL2948398 | 0.87 | STAT3 (0.60) | STAT3STAT1AURKANR1I2CYP1A2 | |
| SCHEMBL17687652 | 0.86 | STAT3 (0.57) | STAT3STAT1AURKANR1I2CYP1A2 | |
| SCHEMBL28326441 | 0.85 | STAT3 (0.70) | STAT3STAT1 | |
| SCHEMBL585041 | 0.79 | STAT3 (0.46) | STAT3STAT1AURKAKDM4E | |
| SCHEMBL6804332 | 0.79 | STAT3 (0.59) | STAT3STAT1CYP1A2CYP2C9CYP2B6 | |
| SCHEMBL28890811 | 0.78 | STAT3 (0.60) | STAT3STAT1CYP1A2MAPK13RAF1 | |
| SCHEMBL2942315 | 0.77 | STAT3 (0.56) | STAT3STAT1MAPK13RAF1MAPK12 | |
| SCHEMBL4266558 | 0.77 | STAT3 (0.63) | STAT3STAT1AURKAKDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001031-B | Metal organic framework, pharmaceutical preparation and application of pharmaceutical preparation in preparation of drugs | 芝加哥大学 | 2019-11-15 | — | — | CN | disclosed |
| CN-107001031-A | Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy and any combination thereof | 芝加哥大学 | 2017-08-01 | — | — | CN | disclosed |