Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 14/20 | 0.34 |
| ▸ | HTR7 | P34969 | 12/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.34 |
| ▸ | DRD2 | P14416 | 9/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20861670 | 1.00 | PTGS1 (0.35) | PTGS1PTGS2HTR2AHTR7KCNH2 | |
| SCHEMBL20871127 | 1.00 | PTGS1 (0.35) | PTGS1PTGS2HTR2AHTR7KCNH2 | |
| SCHEMBL20870905 | 0.91 | HTR3A (0.32) | PTGS1PTGS2HTR2AHTR7DRD3 | |
| SCHEMBL20855338 | 0.91 | HTR3A (0.32) | PTGS1PTGS2HTR2AHTR7DRD3 | |
| SCHEMBL20870579 | 0.91 | PTGS1 (0.35) | PTGS1PTGS2HTR2AHTR7KCNH2 | |
| SCHEMBL20855337 | 0.91 | HTR3A (0.32) | PTGS1PTGS2HTR2AHTR7DRD3 | |
| SCHEMBL28555817 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL20870700 | 0.83 | PTGS1 (0.35) | PTGS1PTGS2HTR2AHTR7KCNH2 | |
| SCHEMBL20870594 | 0.83 | PTGS1 (0.34) | PTGS1PTGS2HTR2AHTR7KCNH2 | |
| SCHEMBL20870909 | 0.83 | — | — |
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-109574945-B | Isoxazoline derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2021-04-20 | — | — | CN | disclosed |
| WO-2019062802-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION | DONGGUAN HEC TECH R & D CO., LTD. (CN) | 2019-04-04 | — | — | WO | disclosed |