Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.43 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.43 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL994270 | 0.72 | ALDH1A1 (0.66) | ALDH1A1CYP3A4HPGDTDP1TSHR | |
| SCHEMBL28211157 | 0.71 | ALDH1A1 (0.70) | ALDH1A1CYP3A4HPGDTDP1TSHR | |
| SCHEMBL12329596 | 0.70 | ALDH1A1 (0.72) | ALDH1A1CYP3A4HPGDTDP1TSHR | |
| SCHEMBL19585205 | 0.69 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTDP1TSHR | |
| SCHEMBL9015339 | 0.69 | ALDH1A1 (0.82) | ALDH1A1CYP3A4HPGDTDP1TSHR | |
| SCHEMBL1193184 | 0.67 | ALDH1A1 (0.72) | ALDH1A1CYP3A4HPGDTDP1TSHR | |
| SCHEMBL10443431 | 0.65 | CYP3A4 (0.66) | ALDH1A1CYP3A4HPGDTDP1TSHR | |
| SCHEMBL30584360 | 0.65 | PIK3CA (0.32) | — | |
| SCHEMBL26662515 | 0.65 | PIK3CA (0.32) | — | |
| SCHEMBL2415016 | 0.65 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDTDP1TSHR |
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-108947952-B | 2-substituted amino-5-trifluoromethyl-8-nitrobenz (thio) pyran-4-ketone compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2021-09-21 | — | — | CN | disclosed |