Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 7/20 | 0.35 |
| ▸ | CCND1 | P24385 | 7/20 | 0.35 |
| ▸ | CDK2 | P24941 | 7/20 | 0.35 |
| ▸ | CDK1 | P06493 | 6/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 6/20 | 0.35 |
| ▸ | CCND3 | P30281 | 3/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.34 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4484868 | 0.87 | KCNH2 (0.37) | KCNH2CDK4CCND1CDK2CDK1 | |
| SCHEMBL4489828 | 0.86 | CDK1 (0.41) | KCNH2CDK4CCND1CDK2CDK1 | |
| SCHEMBL27842465 | 0.86 | KMT2A (0.39) | KCNH2CDK4CCND1CDK2CDK1 | |
| SCHEMBL27657167 | 0.86 | KCNH2 (0.36) | KCNH2CDK4CCND1CDK2CDK1 | |
| SCHEMBL3478664 | 0.84 | CDK1 (0.40) | KCNH2CDK4CCND1CDK2CDK1 | |
| SCHEMBL27842563 | 0.83 | KCNH2 (0.38) | KCNH2CDK2CCNA2AURKATTK | |
| SCHEMBL4491124 | 0.82 | AKT3 (0.42) | KCNH2CDK4CCND1CDK2CDK1 | |
| SCHEMBL3470259 | 0.82 | AKT3 (0.42) | KCNH2CDK4CCND1CDK2CDK1 | |
| SCHEMBL3472051 | 0.81 | IKBKB (0.41) | KCNH2CDK2CCNA2MAPK8MAPK9 | |
| SCHEMBL3476590 | 0.80 | AKT3 (0.41) | KCNH2CDK4CCND1CDK2CDK1 |
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-102267988-A | 2-aminopyrimidine derivatives and their medical use | NOVARTIS LTD | 2011-12-07 | — | — | CN | disclosed |
| CN-1802357-A | 2-aminopyrimidine derivatives and their medical use | NOVARTIS AG (CH) | 2006-07-12 | — | — | CN | disclosed |