Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 3/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | LTK | P29376 | 1/20 | 0.40 |
| ▸ | GRK5 | P34947 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3706072 | 0.98 | CDK8 (0.41) | CDK8ROCK1CHEK1AURKADAPK3 | |
| SCHEMBL26112141 | 0.81 | IMPDH2 (0.38) | CDK8ROCK1CHEK1AURKADAPK3 | |
| SCHEMBL29930920 | 0.75 | GPR119 (0.40) | — | |
| SCHEMBL3700594 | 0.73 | TSHR (0.39) | KDM4ETDP1MEN1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL28200481 | 0.71 | TSHR (0.38) | KDM4ETDP1MEN1ALDH1A1MAPT | |
| SCHEMBL28102813 | 0.69 | EGFR (0.37) | IMPDH2AR | |
| Isoquinoline SCHEMBL3099710 | 0.68 | KDM4E (0.50) | CDK8ROCK1CHEK1AURKADAPK3 | |
| SCHEMBL24668531 | 0.68 | HASPIN (0.35) | ROCK1PRKD3MAP4K4PIM1PRKACA | |
| SCHEMBL256355 | 0.67 | HASPIN (0.43) | GSK3BDYRK1AKDM4EMAPTCYP3A4 | |
| SCHEMBL27654436 | 0.67 | CYP19A1 (0.43) | PIM1CDK9DYRK1AKDM4EHTT |
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-101909628-B | As leukotriene A4Aryl substituted bridged or fused diamines as hydrolase modulators | JANSSEN PHARMACEUTICA NV | 2013-05-29 | — | — | CN | disclosed |
| CN-101909628-A | As leukotriene A4Aryl substituted bridged or fused diamines as hydrolase modulators | JANSSEN PHARMACEUTICA NV | 2010-12-08 | — | — | CN | disclosed |