Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 9/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31084280 | 0.81 | NR1H2 (0.33) | NR1H2BUB1RORC | |
| SCHEMBL17267602 | 0.75 | ESR2 (0.38) | NR1H2ESR2BUB1MAPTALDH1A1 | |
| SCHEMBL343081 | 0.70 | NR1H2 (0.36) | NR1H2ESR2BUB1RORCALDH1A1 | |
| SCHEMBL3505154 | 0.69 | ESR2 (0.45) | NR1H2ESR2USP2SMN1; SMN2BCHE | |
| SCHEMBL31084288 | 0.68 | NR1H2 (0.43) | NR1H2ESR2RORCMAPTALDH1A1 | |
| SCHEMBL8120965 | 0.67 | ESR2 (0.38) | NR1H2ESR2MAPTUSP2SMN1; SMN2 | |
| SCHEMBL25127045 | 0.67 | NR1H2 (0.35) | NR1H2ESR2BUB1RORCUSP2 | |
| SCHEMBL29143177 | 0.67 | NR1H2 (0.38) | NR1H2ESR2BUB1RORCUSP2 | |
| SCHEMBL2980997 | 0.66 | ESR2 (0.43) | NR1H2ESR2MAPTALDH1A1LMNA | |
| SCHEMBL28697279 | 0.66 | USP2 (0.41) | NR1H2ESR2RORCMAPTALDH1A1 |
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-113795491-B | Bridged ring-3, 4-dihydro-pyrido [1,2-a ] pyrazine-1, 8-dione compounds and pharmaceutical uses thereof | 上海拓界生物医药科技有限公司 | 2024-09-03 | — | — | CN | disclosed |