Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.43 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487050 | 0.79 | KDR (0.52) | KDM4ETSHRKDREPHA2EPHB4 | |
| SCHEMBL6368598 | 0.78 | IRAK4 (0.48) | SIGMAR1EGFR | |
| SCHEMBL4507750 | 0.78 | KDM4E (0.61) | KDM4EALDH1A1SIGMAR1TSHRKDR | |
| SCHEMBL3425922 | 0.78 | KDR (0.67) | KDM4EKCNH2KDREPHA2EPHB4 | |
| SCHEMBL1011324 | 0.78 | KDR (0.67) | KDM4EKCNH2KDREPHA2EPHB4 | |
| SCHEMBL3205812 | 0.78 | KDM4E (0.52) | KDM4EALDH1A1SIGMAR1TSHRKCNH2 | |
| SCHEMBL25286424 | 0.78 | CYP1A2 (0.49) | KDM4EALDH1A1TSHRKDREPHA2 | |
| SCHEMBL4985461 | 0.75 | KDR (0.58) | KDREPHA2EPHB4EGFRFGFR1 | |
| SCHEMBL18256900 | 0.75 | KDM4E (0.50) | KDM4EALDH1A1SIGMAR1TSHRKCNH2 | |
| SCHEMBL13503071 | 0.73 | EGFR (0.56) | KDM4EKCNH2KDREPHB4EGFR |
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-108341813-B | Substituted 1- (isoxazol-3-yl) -3- (3-fluoro-4-phenyl) urea derivative and preparation method and application thereof | 四川大学 | 2020-11-17 | — | — | CN | disclosed |