Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3388313 | 0.94 | GAA (0.62) | KDM4EALDH1A1HPGDMAPTTP53 | |
| SCHEMBL29226837 | 0.88 | GAA (0.56) | KDM4EALDH1A1HPGDMAPTTP53 | |
| SCHEMBL12412550 | 0.84 | SMN1; SMN2 (0.65) | KDM4EALDH1A1HPGDMAPTTP53 | |
| SCHEMBL377638 | 0.84 | GAA (0.65) | KDM4EALDH1A1HPGDMAPTTP53 | |
| SCHEMBL5321792 | 0.83 | GAA (0.60) | KDM4EALDH1A1HPGDMAPTTP53 | |
| Bromide SCHEMBL1858718 | 0.82 | GAA (0.63) | KDM4EALDH1A1HPGDMAPTTP53 | |
| SCHEMBL5386249 | 0.81 | MAPT (0.74) | KDM4EALDH1A1HPGDMAPTTP53 | |
| Alcohol SCHEMBL28230448 | 0.81 | GAA (0.61) | KDM4EALDH1A1HPGDMAPTTP53 | |
| SCHEMBL9510529 | 0.80 | GAA (0.54) | KDM4EALDH1A1HPGDMAPTTP53 | |
| SCHEMBL5279675 | 0.80 | GAA (0.60) | KDM4EALDH1A1HPGDMAPTTP53 |
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-108218848-B | Trifluoromethyl pyridine bisoxadiazole (ether) derivative and application thereof | 贵州大学 | 2020-12-18 | — | — | CN | disclosed |