Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | DAO | P14920 | 1/20 | 0.51 |
| ▸ | DDO | Q99489 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10617 | 0.91 | DAO (0.60) | BRD4DAODDOKDRCHEK1 | |
| SCHEMBL29370120 | 0.91 | DAO (0.60) | BRD4DAODDOKDRCHEK1 | |
| Hydrochloric Acid SCHEMBL6506378 | 0.89 | DAO (0.58) | BRD4DAODDOKDRCHEK1 | |
| SCHEMBL27818462 | 0.89 | DAO (0.58) | BRD4DAODDOKDRCHEK1 | |
| Formaldehyde SCHEMBL28001667 | 0.87 | DAO (0.56) | BRD4DAODDOKDRCHEK1 | |
| Formic Acid SCHEMBL3896017 | 0.83 | DAO (0.56) | BRD4DAODDOKDRCHEK1 | |
| SCHEMBL28589648 | 0.83 | KDR (0.53) | BRD4DAODDOKDRCHEK1 | |
| Azetidine SCHEMBL8198613 | 0.83 | DAO (0.51) | BRD4DAODDOKDRCHEK1 | |
| Acetic Acid SCHEMBL28431508 | 0.81 | DAO (0.54) | BRD4DAODDOKDRCHEK1 | |
| SCHEMBL28439712 | 0.81 | CA12 (0.67) | BRD4DAODDOKDRCHEK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109096278-B | Fluoroquinolone-azole hybrid derivative, preparation method and application thereof | 西南大学 | 2021-05-28 | — | — | CN | disclosed |
| CN-109096278-B | Fluoroquinolone-azole hybrid derivative, preparation method and application thereof | 西南大学 | 2021-05-28 | — | — | CN | disclosed |
| CN-109096278-B | Fluoroquinolone-azole hybrid derivative, preparation method and application thereof | 西南大学 | 2021-05-28 | — | — | CN | disclosed |
| CN-105007737-A | 3-alkyl-5-fluoro-4-substituted-imino-3, 4-dihydropyrimidin-2 (1H) -one derivatives as fungicides | DOW AGROSCIENCES LLC | 2015-10-28 | — | — | CN | disclosed |