Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 6/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28669878 | 1.00 | KDM4E (0.53) | KDM4EALDH1A1HPGDTDP1AR | |
| SCHEMBL1091092 | 0.82 | KDM4E (0.49) | KDM4EALDH1A1HPGDTDP1HIF1A | |
| SCHEMBL16742669 | 0.79 | POLB (0.42) | KDM4EALDH1A1HPGDTDP1HIF1A | |
| SCHEMBL13443834 | 0.78 | ADORA2A (0.53) | KDM4EHPGDARADORA2AADORA1 | |
| SCHEMBL9380983 | 0.78 | KDM4E (0.53) | KDM4EALDH1A1HPGDTDP1HIF1A | |
| SCHEMBL27322966 | 0.77 | KDM4E (0.52) | KDM4EALDH1A1HPGDTDP1HIF1A | |
| SCHEMBL7505151 | 0.77 | CYP11B1 (0.45) | KDM4EARADORA2AADORA1 | |
| SCHEMBL7508939 | 0.75 | KCNA3 (0.55) | TDP1ARADORA2AADORA1L3MBTL1 | |
| SCHEMBL2112736 | 0.75 | KDM4E (0.58) | KDM4EALDH1A1HPGDTDP1CASP1 | |
| SCHEMBL7505485 | 0.74 | KCNA3 (0.54) | TDP1ARADORA2AADORA1L3MBTL1 |
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-113788835-B | Triazole tetrazine compound containing morpholine and quinoline ring and preparation method and application thereof | 台州职业技术学院 | 2022-08-26 | — | — | CN | disclosed |