Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3815507 | 0.92 | ESR2 (0.38) | CA1CA2ESR2CYP3A4CYP2C9 | |
| SCHEMBL3811773 | 0.87 | ESR2 (0.43) | ESR2CYP3A4CYP2C9ESR1 | |
| SCHEMBL3811731 | 0.83 | ESR2 (0.43) | CA1CA2ESR2CYP3A4CYP2C9 | |
| SCHEMBL2721633 | 0.82 | ESR2 (0.57) | ESR2CYP3A4CYP2C9ESR1 | |
| SCHEMBL3807425 | 0.81 | ESR2 (0.40) | ESR2CYP3A4CYP2C9ESR1 | |
| SCHEMBL3809669 | 0.80 | ESR2 (0.42) | ESR2CYP3A4CYP2C9ESR1 | |
| SCHEMBL27849739 | 0.77 | ESR2 (0.43) | ESR2CYP3A4CYP2C9ESR1 | |
| SCHEMBL3813530 | 0.77 | ESR2 (0.36) | ESR2CYP3A4CYP2C9ESR1CYP1A2 | |
| SCHEMBL3809410 | 0.76 | ESR2 (0.55) | CA1CA2ESR2GABRA1GABRB1 | |
| SCHEMBL27989296 | 0.76 | ESR2 (0.44) | ESR2CYP3A4CYP2C9ESR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1375461-B1 | DIPHENOL AND PROCESS FOR PRODUCING THE SAME | HONSHU CHEMICAL IND (JP) | 2009-08-05 | — | — | EP | disclosed |