Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.41 |
| ▸ | FEN1 | P39748 | 2/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21373998 | 0.92 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL802682 | 0.90 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL21374093 | 0.90 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL16945883 | 0.90 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL23173084 | 0.89 | AKR1C3 (0.58) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL13703908 | 0.89 | AKR1C3 (0.58) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL18324937 | 0.88 | AKR1C3 (0.44) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL5048773 | 0.88 | PTGS2 (0.47) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL27115962 | 0.88 | PTGS2 (0.47) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 | |
| SCHEMBL26548051 | 0.86 | PTGS2 (0.42) | PTGS2AKR1C3AKR1C2PTGS1AKR1B10 |
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-20180057747-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-03-01 | — | — | US | disclosed |