Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA3 | P07451 | 3/20 | 0.55 |
| ▸ | CA4 | P22748 | 3/20 | 0.55 |
| ▸ | CA6 | P23280 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.55 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | DPP4 | P27487 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL17365409 | 1.00 | KDM4E (0.55) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL28483328 | 1.00 | KDM4E (0.55) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL7487480 | 0.86 | KDM4E (0.66) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL29089142 | 0.86 | KDM4E (0.51) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL7487487 | 0.86 | KDM4E (0.66) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL2324557 | 0.84 | NPSR1 (0.51) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL2324556 | 0.84 | NPSR1 (0.51) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL16153884 | 0.84 | NPSR1 (0.51) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL2294135 | 0.84 | IAPP (0.43) | KDM4EHSD17B10MAPK1CA12CA1 | |
| SCHEMBL2294138 | 0.84 | IAPP (0.43) | KDM4EHSD17B10MAPK1CA12CA1 |
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-108752212-B | 9-decarboxylated rosmarinic acid analogue and synthetic method and application thereof | 北京大学 | 2024-03-12 | — | — | CN | disclosed |