Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | SYK | P43405 | 4/20 | 0.56 |
| ▸ | AURKA | O14965 | 13/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.56 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.56 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.56 |
| ▸ | PRKCG | P05129 | 2/20 | 0.56 |
| ▸ | CDK1 | P06493 | 2/20 | 0.56 |
| ▸ | PIM1 | P11309 | 2/20 | 0.56 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.56 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.56 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.56 |
| ▸ | CDK2 | P24941 | 2/20 | 0.56 |
| ▸ | MARK3 | P27448 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.56 |
| ▸ | BLK | P51451 | 2/20 | 0.56 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.56 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL30737936 | 0.88 | AURKA (0.56) | NPC1RAB9AAURKACHEK1PDPK1 | |
| SCHEMBL18780747 | 0.88 | SYK (0.48) | NPC1RAB9ASYKAURKAAURKB | |
| SCHEMBL28823474 | 0.86 | SYK (0.52) | NPC1RAB9ASYKAURKAAURKB | |
| SCHEMBL28850302 | 0.84 | SYK (0.50) | NPC1RAB9ASYKAURKACDK1 | |
| SCHEMBL17266536 | 0.84 | JAK3 (0.58) | SYKAURKACDK1CDK2IKBKB | |
| SCHEMBL28039312 | 0.82 | SYK (0.48) | NPC1RAB9ASYKAURKAAURKB | |
| SCHEMBL28039617 | 0.81 | SYK (0.48) | NPC1RAB9ASYKAURKAAURKB | |
| SCHEMBL14769279 | 0.81 | EGFR (0.69) | SYKITKEGFRJAK3BTK | |
| SCHEMBL9479889 | 0.80 | MAPT (0.62) | RAB9ASYKCDK1MAPK1MAPT | |
| SCHEMBL13921824 | 0.80 | SYK (0.60) | SYKMAPK1MAPTITKEGFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108727382-A | Heterocyclic compound as BTK inhibitor and its application | 华东理工大学 | 2018-11-02 | — | — | CN | disclosed |
| CN-105985342-B | As the pyrimido-pyrimidine derovatives of EGFR inhibitor and its application | 华东理工大学 | 2018-07-24 | — | — | CN | disclosed |
| CN-107428763-A | As the pyrimido-pyrimidine derovatives of EGFR inhibitor and its application | 华东理工大学 | 2017-12-01 | — | — | CN | disclosed |