Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3392361 | 0.92 | PARP1 (0.40) | ADORA2AADORA1PARP1KDM4EALDH1A1 | |
| SCHEMBL3398314 | 0.81 | ADORA2A (0.40) | ADORA2AADORA1KDM4EALDH1A1POLB | |
| SCHEMBL3397315 | 0.81 | ADORA2A (0.40) | ADORA2AADORA1CDK2KDM4EALDH1A1 | |
| SCHEMBL3396590 | 0.80 | CHEK2 (0.40) | ADORA2AADORA1KDM4EMAP4K1 | |
| SCHEMBL3433088 | 0.74 | CHEK2 (0.40) | ADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL15939464 | 0.72 | CDK2 (0.52) | ADORA2AADORA1CDK2CDK9KDM4E | |
| SCHEMBL29495812 | 0.71 | PARP1 (0.35) | CDK2CDK9PARP1MAP4K1NOS3 | |
| SCHEMBL22969433 | 0.71 | PARP1 (0.35) | CDK2CDK9PARP1MAP4K1NOS3 | |
| SCHEMBL24671043 | 0.69 | NOS3 (0.35) | CDK2CDK9PARP1NOS3ACHE | |
| SCHEMBL6584391 | 0.68 | PARP1 (0.44) | PARP1KDM4EALDH1A1NOS3ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |