Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 5/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2461750 | 0.85 | XDH (0.48) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL9489328 | 0.83 | DHFR (0.48) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL11660801 | 0.83 | GABRA1 (0.45) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL28794389 | 0.81 | DHFR (0.42) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL9284337 | 0.81 | GABRA1 (0.44) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL2687511 | 0.81 | KDM4E (0.45) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL9287678 | 0.81 | DHFR (0.47) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL9249388 | 0.81 | GABRA1 (0.44) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL28963046 | 0.81 | GABRA1 (0.35) | GABRA1GABRB2DHFRXDHMEN1 | |
| SCHEMBL11369315 | 0.79 | GABRA1 (0.42) | GABRA1GABRB2DHFRXDHMEN1 |
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-2013006098-A2 | 2,6-DIISOBORNYLPHENOL DERIVATIVES | ФЕДЕРАЛЬНОЕ ГОСУДАРСТВЕННОЕ БЮДЖЕТНОЕ УЧРЕЖДЕНИЕ НАУКИ ИНСТИТУТ ХИМИИ КОМИ НАУЧНОГО ЦЕНТРА УРАЛЬСКОГО ОТДЕЛЕНИЯ РОССИЙСКОЙ АКАДЕМИИ НАУК (RU) | 2013-01-10 | — | — | WO | disclosed |