Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 8/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.42 |
| ▸ | BCL6 | P41182 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.40 |
| ▸ | IDH2 | P48735 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 3/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL542209 | 0.81 | CDK1 (0.52) | CDK1CDK2CCNA2CCNA1CCNE1 | |
| SCHEMBL10145847 | 0.81 | CDK1 (0.48) | CDK1CDK2CCNA2CCNA1CCNE1 | |
| Hydrochloric Acid SCHEMBL541457 | 0.80 | CDK1 (0.48) | CDK1CDK2CCNA2CCNA1CCNE1 | |
| SCHEMBL28945865 | 0.78 | CDK2 (0.45) | CDK1CDK2CCNA2CCNA1CCNE1 | |
| SCHEMBL12796227 | 0.74 | LRRK2 (0.48) | CDK1CDK2CCNA2CCNA1LRRK2 | |
| SCHEMBL24968865 | 0.71 | IDH2 (0.54) | CDK1CDK2CCNA2CCNA1CCNE1 | |
| SCHEMBL27471255 | 0.69 | NFKB1 (0.46) | — | |
| SCHEMBL17832701 | 0.68 | HDAC1 (0.55) | CDK1CDK2CCNA2CCNA1LCK | |
| SCHEMBL24260258 | 0.67 | KDM4E (0.49) | CDK1SSTR4 | |
| SCHEMBL541569 | 0.67 | CXCR4 (0.42) | CDK1CDK2CDK4CCND1LRRK2 |
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-102378757-A | Pyrimidine compounds | ASTELLAS PHARMA INC | 2012-03-14 | — | — | CN | disclosed |