Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 9/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28242608 | 0.83 | CYP2A6 (0.47) | PIK3CACYP2A6CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL27586450 | 0.81 | NUDT1 (0.49) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL10199363 | 0.80 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL6516685 | 0.77 | CHEK1 (0.46) | PIK3CACYP2A6GAAMAPTPTGS2 | |
| SCHEMBL14321255 | 0.77 | NUDT1 (0.47) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL29912818 | 0.76 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL4484319 | 0.76 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| Bromide SCHEMBL28797051 | 0.75 | CHEK1 (0.45) | PIK3CACYP2A6GAAMAPTPTGS2 | |
| SCHEMBL10205407 | 0.75 | CYP2A6 (0.56) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL30297864 | 0.74 | CYP11B1 (0.47) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156761-A | Containing cumarin-biphenyl backbone compound, preparation method and applications | 郑州大学 | 2019-08-23 | — | — | CN | claimed |
| CN-110156761-A | Containing cumarin-biphenyl backbone compound, preparation method and applications | 郑州大学 | 2019-08-23 | — | — | CN | disclosed |