Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19985415 | 0.88 | ESR2 (0.35) | FFAR4ADRB2ADRB1GABRA1GABRB2 | |
| SCHEMBL19986350 | 0.88 | CYP3A4 (0.37) | CYP3A4CYP2C9APPFFAR4S1PR1 | |
| SCHEMBL19985424 | 0.86 | GABRA1 (0.33) | GABRA1GABRB2 | |
| SCHEMBL4401650 | 0.85 | CYP2C9 (0.38) | CYP2C9DGAT1GABRA1GABRB2MAPT | |
| SCHEMBL19986385 | 0.83 | FEN1 (0.37) | PTGDRPTGDR2FEN1ALOX5AP | |
| SCHEMBL19985437 | 0.83 | GABRA1 (0.33) | CYP2C9DGAT1GABRA1GABRB2MAPT | |
| SCHEMBL12999609 | 0.82 | ALOX5AP (0.31) | CYP3A4CYP2C9APPGABRA1GABRB2 | |
| SCHEMBL15681366 | 0.82 | CYP3A4 (0.43) | CYP3A4CYP2C9APPFFAR4S1PR1 | |
| SCHEMBL19985441 | 0.82 | GABRA1 (0.33) | CYP2C9DGAT1GABRA1GABRB2GAA | |
| SCHEMBL19985445 | 0.81 | MAPT (0.32) | CYP2C9GABRA1GABRB2GAAMAPT |
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-20180079959-A1 | LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY | DIC CORPORATION (JP) | 2018-03-22 | — | — | US | disclosed |