Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 1.00 |
| ▸ | NPC1 | O15118 | 8/20 | 1.00 |
| ▸ | CASP3 | P42574 | 1/20 | 0.70 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.70 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.70 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.60 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL18489825 | 0.93 | NPC1 (0.86) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL8258186 | 0.91 | NPC1 (0.96) | RAB9ANPC1CASP3SENP8SENP7 | |
| 3,5-Diphenylisoxazole SCHEMBL1421260 | 0.89 | NPC1 (1.00) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL28677426 | 0.84 | NPC1 (0.73) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL30423208 | 0.84 | NPC1 (0.73) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL17084388 | 0.84 | NPC1 (0.73) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL28662125 | 0.84 | NPC1 (0.81) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL5203548 | 0.82 | NPC1 (0.69) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL5206339 | 0.82 | NPC1 (0.69) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL4316607 | 0.82 | NPC1 (0.69) | RAB9ANPC1CASP3SENP8SENP7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113582937-B | Green preparation method of isoxazole compound participated in by water-soluble vitamin E | 浙江工业大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-113582937-A | Green preparation method of water-soluble vitamin E-involved isoxazole compound | 浙江工业大学 | 2021-11-02 | — | — | CN | disclosed |
| CN-113248455-A | 3, 5-disubstituted isoxazole derivatives and synthesis method thereof | 湖北科技学院 | 2021-08-13 | — | — | CN | disclosed |