Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25364430 | 0.79 | RAB9A (0.34) | KMT2ACYP11B1CYP11B2 | |
| SCHEMBL29426945 | 0.77 | IDO1 (0.43) | MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL25411517 | 0.77 | IDO1 (0.43) | MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL29035704 | 0.76 | PLA2G1B (0.34) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL16616905 | 0.72 | ADORA2A (0.44) | TSHR | |
| SCHEMBL23994142 | 0.71 | CYP17A1 (0.43) | CYP1A2CYP17A1KMT2A | |
| SCHEMBL31039265 | 0.70 | KMO (0.35) | — | |
| SCHEMBL31039261 | 0.69 | EZH2 (0.32) | — | |
| SCHEMBL21720617 | 0.67 | CYP1A2 (0.35) | CYP1A2CYP17A1CYP3A4CYP2C9TSHR | |
| SCHEMBL21720353 | 0.67 | PLA2G1B (0.33) | CYP1A2CYP17A1ALDH1A1SMN1; SMN2PLA2G1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110678450-B | Isoxazole derivatives as nuclear receptor agonists and uses thereof | 日东制药株式会社 | 2023-06-20 | — | — | CN | disclosed |