Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 4/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17247615 | 0.83 | KEAP1 (0.47) | PIK3CAPI4KAPI4KBKDM5BDYRK1A | |
| SCHEMBL28855820 | 0.75 | CSNK1D (0.42) | FYNS1PR1JAK2 | |
| SCHEMBL27163605 | 0.69 | CYP2A6 (0.50) | PIK3CAPI4KAPI4KBKDR | |
| SCHEMBL30045927 | 0.69 | CYP2A6 (0.50) | PIK3CAPI4KAPI4KBKDR | |
| SCHEMBL31434769 | 0.69 | CHEK2 (0.49) | PIK3CAPI4KAPI4KBKDM5BS1PR1 | |
| SCHEMBL28198655 | 0.69 | CYP11B2 (0.41) | FYNDYRK1AS1PR1 | |
| SCHEMBL19454842 | 0.68 | GSK3B (0.42) | KDM5BDYRK1AGSK3B | |
| SCHEMBL5114909 | 0.67 | PIK3CA (0.46) | PIK3CAPI4KAPI4KBP2RX7TNF | |
| SCHEMBL21634194 | 0.67 | CYP2A6 (0.50) | FYN | |
| SCHEMBL26097848 | 0.66 | GSK3B (0.36) | PIK3CAPI4KAPI4KBKDM5BFYN |
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-107667106-A | 2 (base of Pyrazolopyridine 3) pyrimidine derivatives as JAK inhibitor | 阿尔米雷尔有限公司 | 2018-02-06 | — | — | CN | disclosed |