Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | F12 | P00748 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25604354 | 0.93 | SMN1; SMN2 (0.42) | ESR2NR1H2SMN1; SMN2ADORA1MAPT | |
| SCHEMBL25604198 | 0.92 | ESR2 (0.46) | ESR2NR1H2SMN1; SMN2SCN9AADORA1 | |
| SCHEMBL25825901 | 0.91 | SMN1; SMN2 (0.44) | ESR2NR1H2SMN1; SMN2MAPK1MAPT | |
| SCHEMBL25604356 | 0.82 | ESR2 (0.39) | ESR2NR1H2SMN1; SMN2ADORA1 | |
| SCHEMBL25604199 | 0.81 | ESR2 (0.43) | ESR2NR1H2SMN1; SMN2ADORA1MAPK1 | |
| SCHEMBL25825839 | 0.80 | SMN1; SMN2 (0.40) | NR1H2SMN1; SMN2MAPTPARP1 | |
| SCHEMBL25825902 | 0.79 | L3MBTL1 (0.39) | ESR2NR1H2SMN1; SMN2ADORA1MAPK1 | |
| SCHEMBL25604141 | 0.75 | MAPT (0.46) | ESR2NR1H2SMN1; SMN2MAPK1MAPT | |
| SCHEMBL25604260 | 0.72 | ESR2 (0.54) | ESR2NR1H2SCN9AUCHL1ACACB | |
| SCHEMBL2117366 | 0.71 | ESR2 (0.61) | ESR2NR1H2SCN9AUCHL1ACACB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2023088406-A1 | FUSED IMIDE DERIVATIVE | 正大天晴药业集团股份有限公司 | 2023-05-25 | — | — | WO | disclosed |