Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 7/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19903744 | 0.83 | SERPINE1 (0.63) | BCHESERPINE1PTPN1PRKCA | |
| SCHEMBL16681103 | 0.82 | BCHE (0.58) | BCHEPRKCA | |
| SCHEMBL229656 | 0.82 | BCHE (0.58) | BCHEPRKCA | |
| SCHEMBL2320043 | 0.81 | BCHE (0.60) | BCHEPRKCA | |
| SCHEMBL16752819 | 0.81 | BCHE (0.56) | BCHEPRKCA | |
| SCHEMBL230317 | 0.81 | BCHE (0.56) | BCHEPRKCA | |
| SCHEMBL20213354 | 0.81 | BCHE (0.56) | BCHEPRKCA | |
| SCHEMBL16681731 | 0.81 | BCHE (0.56) | BCHEPRKCA | |
| SCHEMBL15073363 | 0.81 | BCHE (0.56) | BCHEPRKCA | |
| SCHEMBL15073362 | 0.81 | BCHE (0.56) | BCHEPRKCA |
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-3287462-A1 | ISOSORBIDE DERIVATIVES TO TREAT BACTERIAL BIOFILMS | NITTO DENKO CORPORATION (JP) | 2018-02-28 | — | — | EP | disclosed |