Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.67 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.50 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29052411 | 0.88 | ESR2 (0.67) | ESR2NR1H2USP30ESR1NPC1 | |
| SCHEMBL30468491 | 0.87 | NR1H2 (0.68) | ESR2NR1H2USP30NPC1RAB9A | |
| SCHEMBL327558 | 0.85 | ESR2 (0.60) | ESR2NR1H2USP30NPC1RAB9A | |
| SCHEMBL30468410 | 0.84 | ESR2 (0.51) | ESR2NR1H2USP30SCD5HDAC1 | |
| SCHEMBL2132877 | 0.83 | ESR2 (0.84) | ESR2NR1H2ESR1NPC1RAB9A | |
| SCHEMBL2500184 | 0.82 | HSD11B1 (0.47) | ESR2NR1H2USP30SCD5HDAC2 | |
| SCHEMBL30468497 | 0.81 | ESR2 (0.45) | ESR2NR1H2USP30ESR1SCD5 | |
| SCHEMBL545619 | 0.81 | ESR2 (0.90) | ESR2NR1H2ESR1NPC1RAB9A | |
| SCHEMBL450677 | 0.81 | ESR2 (1.00) | ESR2NR1H2ESR1NPC1RAB9A | |
| SCHEMBL29590844 | 0.81 | ESR2 (1.00) | ESR2NR1H2ESR1NPC1RAB9A |
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-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |