Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24359601 | 0.90 | HSP90AA1 (0.50) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL17268865 | 0.83 | CA2 (0.55) | HSP90AA1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL1003882 | 0.83 | HSP90AA1 (0.47) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL24359571 | 0.83 | HSP90AA1 (0.44) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL30178546 | 0.83 | HSP90AA1 (0.49) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL14821700 | 0.83 | HSP90AA1 (0.49) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL30646078 | 0.83 | HSP90AA1 (0.41) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL956042 | 0.81 | HSP90AA1 (0.45) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL29671062 | 0.80 | HSP90AA1 (0.62) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL29370116 | 0.80 | HSP90AA1 (0.62) | HSP90AA1CYP1A2CYP3A4CYP2C9TSHR |
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-20170152344-A1 | FUNCTIONAL GRAPHENE NANOSTRUCTURE DEVICES FROM LIVING POLYMERS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-06-01 | — | — | US | disclosed |