Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28595097 | 0.78 | PKM (0.49) | POLBGAAPKML3MBTL1HPGD | |
| SCHEMBL29289223 | 0.78 | PKM (0.65) | POLBGAAPKML3MBTL1HPGD | |
| SCHEMBL29289227 | 0.78 | PKM (0.65) | POLBGAAPKML3MBTL1HPGD | |
| SCHEMBL28591290 | 0.76 | PKM (0.63) | POLBPKML3MBTL1NFE2L2 | |
| SCHEMBL29385894 | 0.74 | HTR6 (0.42) | POLBGAAPKML3MBTL1NFE2L2 | |
| SCHEMBL30811021 | 0.74 | ALDH1A1 (0.52) | CYP1A2CYP2C9CYP2C19PKML3MBTL1 | |
| SCHEMBL27601416 | 0.74 | ALDH1A1 (0.52) | CYP1A2CYP2C9CYP2C19PKML3MBTL1 | |
| SCHEMBL30138202 | 0.71 | NFE2L2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL13615662 | 0.71 | NFE2L2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL28504927 | 0.71 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113061103-A | Preparation method of monofluoroolefin derivative | 中国科学院兰州化学物理研究所苏州研究院 | 2021-07-02 | — | — | CN | claimed |
| CN-113061103-B | Preparation method of monofluoroolefin derivative | 中国科学院兰州化学物理研究所 | 2022-02-15 | — | — | CN | disclosed |
| CN-113061103-A | Preparation method of monofluoroolefin derivative | 中国科学院兰州化学物理研究所苏州研究院 | 2021-07-02 | — | — | CN | disclosed |