Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.44 |
| ▸ | TEK | Q02763 | 2/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.36 |
| ▸ | F11 | P03951 | 6/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 6/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30656543 | 1.00 | KDR (0.44) | KDREPHB4TEKBRAFMAP3K20 | |
| SCHEMBL29089496 | 0.83 | BRAF (0.39) | BRAFMAP3K20PSEN1PSEN2KCNH2 | |
| SCHEMBL30656621 | 0.83 | BRAF (0.39) | BRAFMAP3K20PSEN1PSEN2KCNH2 | |
| SCHEMBL29089479 | 0.82 | FLT3 (0.48) | F11KLKB1 | |
| SCHEMBL30656460 | 0.82 | FLT3 (0.48) | F11KLKB1 | |
| SCHEMBL21357425 | 0.81 | F11 (0.48) | F11KLKB1CYP3A4 | |
| SCHEMBL29479366 | 0.81 | F11 (0.48) | F11KLKB1CYP3A4 | |
| SCHEMBL29089482 | 0.79 | F11 (0.39) | F11KLKB1CYP3A4 | |
| SCHEMBL30656519 | 0.79 | F11 (0.39) | F11KLKB1CYP3A4 | |
| SCHEMBL24633281 | 0.79 | F11 (0.50) | F11KLKB1CYP3A4 |
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-116903585-A | Oxo-pyridine derivative and application thereof in medicine | 天津药物研究院有限公司 | 2023-10-20 | — | — | CN | disclosed |