Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 3/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28573697 | 0.87 | P2RX7 (0.37) | NOTUMDHODHP2RX7AHRSMO | |
| SCHEMBL28574665 | 0.79 | P2RX7 (0.40) | P2RX7 | |
| SCHEMBL2557372 | 0.76 | IDO1 (0.37) | DHODHP2RX7AHRTRPV1MAPT | |
| SCHEMBL29923212 | 0.76 | IDO1 (0.37) | DHODHP2RX7AHRTRPV1MAPT | |
| SCHEMBL15330943 | 0.68 | DHODH (0.41) | DHODHP2RX7AHRMAPTIDO1 | |
| SCHEMBL28577478 | 0.67 | ESR1 (0.43) | NOTUMESR1IDO1TDO2MAPK14 | |
| SCHEMBL25543254 | 0.67 | ALDH1A1 (0.44) | MAPTIDO1TDO2PIK3CDMAPK14 | |
| SCHEMBL28471474 | 0.66 | — | — | |
| SCHEMBL28584133 | 0.66 | P2RX7 (0.38) | P2RX7 | |
| SCHEMBL3384730 | 0.66 | KMT2A (0.30) | — |
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 |