Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | CTRC | Q99895 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.30 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8082953 | 0.82 | CYP3A4 (0.36) | CYP3A4ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL8734178 | 0.81 | CYP3A4 (0.39) | CYP3A4ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL16860554 | 0.80 | CYP3A4 (0.50) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8089722 | 0.79 | CTRC (0.37) | CYP3A4ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL8097016 | 0.76 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL10307586 | 0.73 | GRIN2D (0.56) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL15132118 | 0.73 | GRIN2D (0.44) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL25478423 | 0.73 | GABRA1 (0.38) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL21586425 | 0.72 | ALDH1A1 (0.37) | CYP3A4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10186959 | 0.71 | TSHR (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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-1053990-A2 | A method of producing an aromatic ketone and an aromatic ketone composition containing it | TORAY INDUSTRIES, INC. (JP) | 2000-11-22 | — | — | EP | disclosed |