Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.39 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.39 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25543247 | 0.83 | ALDH1A1 (0.46) | MGLLIDO1TDO2KCNJ6KCNJ5 | |
| SCHEMBL20502187 | 0.79 | L3MBTL1 (0.45) | IDO1TDO2PTGS2KMT2APOLB | |
| SCHEMBL31522204 | 0.77 | KMT2A (0.53) | ESR1FAAHMGLLKEAP1KMT2A | |
| SCHEMBL28575589 | 0.76 | L3MBTL1 (0.40) | PTGS2NPC1 | |
| SCHEMBL27031354 | 0.73 | PTGS2 (0.55) | IDO1TDO2MAPK14PTGS2PTGS1 | |
| SCHEMBL954786 | 0.73 | KMT2A (0.50) | ESR1FAAHMGLLMAPK14KMT2A | |
| SCHEMBL14696791 | 0.71 | NR3C2 (0.46) | ESR1FAAHMGLLIDO1TDO2 | |
| SCHEMBL6736039 | 0.70 | PTGS2 (0.55) | PTGS2PTGS1 | |
| SCHEMBL6728522 | 0.70 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL4648694 | 0.70 | ALDH1A1 (0.46) | IDO1TDO2KCNJ6KCNJ5KCNJ3 |
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-112794846-B | Ethyl isoxazoline derivative and application thereof | 宁夏苏融达化工有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-112794846-A | Ethyl isoxazoline derivative and application thereof | 东莞市东阳光农药研发有限公司 | 2021-05-14 | — | — | CN | disclosed |