Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3395407 | 0.90 | KCNH2 (0.40) | KCNH2CYP19A1GSK3AGSK3BLRRK2 | |
| SCHEMBL3394362 | 0.84 | PTGES (0.37) | GSK3AGSK3BCDK1CDK2KDR | |
| SCHEMBL3434434 | 0.78 | KCNH2 (0.40) | KCNH2GSK3AGSK3BLRRK2CCNE2 | |
| SCHEMBL3433177 | 0.72 | KCNH2 (0.36) | KCNH2CYP19A1GSK3AGSK3BLRRK2 | |
| SCHEMBL3365876 | 0.69 | MAP3K14 (0.43) | EGLN2 | |
| SCHEMBL3392275 | 0.67 | KCNH2 (0.46) | KCNH2LRRK2METAP2EGLN2 | |
| SCHEMBL3395404 | 0.67 | KCNH2 (0.47) | KCNH2GSK3AGSK3BLRRK2CDK1 | |
| SCHEMBL13425773 | 0.67 | KCNH2 (0.43) | KCNH2GSK3AGSK3BLRRK2EGFR | |
| SCHEMBL3426389 | 0.66 | KCNH2 (0.43) | KCNH2TNIKEGLN2 | |
| SCHEMBL3434686 | 0.65 | KCNH2 (0.44) | KCNH2CYP19A1GSK3AGSK3BLRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |