Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 8/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL8525775 | 0.92 | HCRTR2 (0.43) | HCRTR2NR1H4HSP90AA1HCRTR1CYP3A4 | |
| SCHEMBL8525770 | 0.88 | HCRTR2 (0.41) | HCRTR2HSP90AA1HCRTR1CYP3A4ALDH1A1 | |
| SCHEMBL8490794 | 0.88 | AVPR2 (0.39) | HCRTR2NR1H4ALDH1A1 | |
| SCHEMBL8525752 | 0.88 | NR1H4 (0.41) | HCRTR2NR1H4HSP90AA1HCRTR1CYP3A4 | |
| SCHEMBL8487558 | 0.86 | HSP90AA1 (0.41) | NR1H4HSP90AA1NOTUM | |
| SCHEMBL8490513 | 0.86 | NOTUM (0.38) | HCRTR2NR1H4HSP90AA1HCRTR1CYP3A4 | |
| SCHEMBL8488638 | 0.85 | HTT (0.44) | CYP3A4ALDH1A1 | |
| SCHEMBL8490972 | 0.84 | KDM4E (0.38) | NR1H4NOTUMALDH1A1 | |
| SCHEMBL8488359 | 0.83 | ALDH1A1 (0.37) | HSP90AA1ALDH1A1 | |
| SCHEMBL8488733 | 0.82 | POLB (0.36) | NR1H4HSP90AA1ALDH1A1 |
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-1999003856-A1 | 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-28 | — | — | WO | disclosed |