Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | HPGD | P15428 | 6/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA3 | P07451 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | CA5A | P35218 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29096991 | 0.81 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| Hymecromone Methyl Ether SCHEMBL31103478 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| Hymecromone Methyl Ether SCHEMBL314248 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL14417276 | 0.76 | NQO1 (0.51) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL14424527 | 0.76 | KDM4E (0.73) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL571861 | 0.75 | KDM4E (0.58) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL13437570 | 0.75 | MAOB (0.53) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL27877030 | 0.75 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL30803821 | 0.74 | KDM4E (0.76) | KDM4EALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL11511686 | 0.74 | KDM4E (0.76) | KDM4EALDH1A1HPGDHSD17B10CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111454252-B | Aromatic ring/aromatic heterocycle-triazole-methylene-TCP derivative and preparation method and application thereof | 郑州大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-111454252-A | Aromatic ring/aromatic heterocycle-triazole-methylene-TCP derivative and preparation method and application thereof | 郑州大学 | 2020-07-28 | — | — | CN | disclosed |