Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CDK2 | P24941 | 13/20 | 0.49 |
| ▸ | CDK9 | P50750 | 8/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 8/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 7/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 6/20 | 0.49 |
| ▸ | CDK1 | P06493 | 9/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.48 |
| ▸ | CCNT2 | O60583 | 2/20 | 0.48 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28378744 | 0.79 | KDM4E (0.52) | KDM4ENPC1MAPTTDP1CDK2 | |
| SCHEMBL30148791 | 0.74 | CDK2 (0.49) | KDM4ENPC1MAPTTDP1CDK2 | |
| SCHEMBL30148790 | 0.74 | KDM4E (0.50) | KDM4ENPC1MAPTTDP1CDK2 | |
| SCHEMBL786828 | 0.68 | CDK2 (0.68) | KDM4ENPC1MAPTTDP1CDK2 | |
| SCHEMBL786829 | 0.68 | CDK2 (0.68) | KDM4ENPC1MAPTTDP1CDK2 | |
| SCHEMBL1355093 | 0.67 | CDK2 (0.65) | KDM4ENPC1MAPTTDP1CDK2 | |
| SCHEMBL31069517 | 0.66 | TDP1 (0.87) | KDM4ENPC1MAPTTDP1CDK2 | |
| SCHEMBL1352461 | 0.66 | CDK2 (0.70) | CDK2CDK9CDK5CCNE1CCNT1 | |
| Myoseverin SCHEMBL29376276 | 0.66 | TDP1 (1.00) | KDM4ENPC1MAPTTDP1CDK2 | |
| Myoseverin SCHEMBL13325947 | 0.66 | TDP1 (1.00) | KDM4ENPC1MAPTTDP1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110903289-A | Purine-aminomethyl-pyridone derivative, preparation method and application thereof | 四川大学 | 2020-03-24 | — | — | CN | disclosed |