Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29172472 | 0.78 | CA2 (0.45) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL24181357 | 0.73 | SLC2A1 (0.43) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL13580884 | 0.73 | ALDH1A1 (0.37) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL21544921 | 0.71 | CYP1A2 (0.38) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL21544922 | 0.71 | CYP1A2 (0.38) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL21544919 | 0.71 | CYP1A2 (0.38) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL8896366 | 0.69 | NPSR1 (0.49) | ALDH1A1MMP2MMP9MMP3MMP1 | |
| SCHEMBL11859052 | 0.68 | NR1I2 (0.41) | CYP1A2CYP2D6ALDH1A1MMP2MMP9 | |
| SCHEMBL18896204 | 0.67 | NR1I2 (0.41) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL30338449 | 0.67 | HTR2A (0.45) | CYP1A2CYP2D6HDAC3HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110234318-A | Amide compound and its application | 昊运股份有限公司 | 2019-09-13 | — | — | CN | disclosed |