Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | SPR | P35270 | 2/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25825838 | 0.82 | ESR2 (0.35) | ESR2NR1H2GPR119GPR183HDAC1 | |
| SCHEMBL25825836 | 0.80 | ESR1 (0.36) | ESR2MAPK1 | |
| SCHEMBL25825899 | 0.80 | ESR2 (0.49) | ESR2NR1H2GPR119MAPK1HDAC1 | |
| SCHEMBL25604351 | 0.78 | ESR2 (0.53) | ESR2NR1H2GPR119MAPK1POLB | |
| SCHEMBL21940889 | 0.77 | MAPK1 (0.50) | ESR2NR1H2GPR119CYP11B2GPR183 | |
| SCHEMBL29609197 | 0.77 | MAPK1 (0.50) | ESR2NR1H2GPR119CYP11B2GPR183 | |
| SCHEMBL25604259 | 0.77 | ESR2 (0.58) | ESR2NR1H2GPR119MAPK1HDAC1 | |
| SCHEMBL25604196 | 0.77 | ESR2 (0.58) | ESR2NR1H2GPR119MAPK1HDAC1 | |
| SCHEMBL23051565 | 0.74 | SCD5 (0.40) | ESR2NR1H2GPR119OXTRAVPR1A | |
| SCHEMBL23051561 | 0.72 | GPR119 (0.41) | ESR2NR1H2GPR119OXTRAVPR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |