Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.59 |
| ▸ | CDK2 | P24941 | 3/20 | 0.59 |
| ▸ | IGF1R | P08069 | 2/20 | 0.59 |
| ▸ | GSK3A | P49840 | 2/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | JAK2 | O60674 | 2/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.59 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.59 |
| ▸ | CDK1 | P06493 | 2/20 | 0.59 |
| ▸ | LYN | P07948 | 2/20 | 0.59 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.59 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.59 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.59 |
| ▸ | MARK3 | P27448 | 2/20 | 0.59 |
| ▸ | BLK | P51451 | 2/20 | 0.59 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.59 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.59 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.59 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.59 |
| ▸ | PLK4 | O00444 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL26022274 | 0.79 | HDAC3 (0.51) | AURKAKDRSYKSTK17AHDAC6 | |
| SCHEMBL3596154 | 0.79 | KCNH2 (0.51) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL2492555 | 0.78 | CDK2 (0.55) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL10974762 | 0.78 | CHEK1 (0.60) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL18542558 | 0.78 | HDAC6 (0.53) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL18434184 | 0.78 | MAPT (0.55) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL3592120 | 0.78 | IGF1R (0.59) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL18294906 | 0.78 | HDAC6 (0.53) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL3587633 | 0.78 | HDAC6 (0.58) | AURKACDK2IGF1RGSK3AGSK3B | |
| SCHEMBL3419180 | 0.78 | IDH2 (0.57) | AURKACDK2IGF1RGSK3AGSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111072571-B | Dithiocarbamates as FAK inhibitors | 北京西博医药研究有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-111072571-A | Dithiocarbamates as FAK inhibitors | 北京西博医药研究有限公司 | 2020-04-28 | — | — | CN | disclosed |