Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | TACR2 | P21452 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TST | Q16762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2727584 | 0.88 | PTGS2 (0.34) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL18267374 | 0.85 | PTGS2 (0.34) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL22400747 | 0.80 | PTGS2 (0.31) | PTGS2 | |
| SCHEMBL18665481 | 0.79 | PTGS2 (0.30) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL28479604 | 0.79 | RARB (0.30) | PTGS2HTR2ARARBRARARARG | |
| SCHEMBL1323842 | 0.78 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL3555634 | 0.78 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL196514 | 0.78 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL2012315 | 0.78 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL16869825 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118755060-B | Benzisoxadiazole polymer and preparation method and application thereof | 五邑大学 | 2025-05-09 | — | — | CN | disclosed |
| CN-118755060-A | Benzisoxadiazole polymer and preparation method and application thereof | 五邑大学 | 2024-10-11 | — | — | CN | disclosed |