Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 13/20 | 0.44 |
| ▸ | CCND1 | P24385 | 3/20 | 0.44 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27861448 | 0.87 | CDK4 (0.38) | CDK4CCND1CDK6CDK2CDK1 | |
| SCHEMBL20037555 | 0.82 | CDK4 (0.44) | CDK4CCND1CDK6CDK2CDK1 | |
| SCHEMBL20249102 | 0.80 | CDK4 (0.43) | CDK4CCND1CDK6CDK2CDK1 | |
| SCHEMBL16580827 | 0.80 | MAPT (0.46) | HDAC1PRKCQ | |
| SCHEMBL23561133 | 0.78 | CDK4 (0.40) | CDK4CCND1CDK6CDK2CDK1 | |
| SCHEMBL18291342 | 0.78 | MTOR (0.39) | CDK4CCND1CDK6CHRNB2CHRNA4 | |
| SCHEMBL28075623 | 0.77 | MAPT (0.57) | CDK4CCND1CDK6CDK2CDK1 | |
| SCHEMBL1992377 | 0.76 | CHRNB2 (0.64) | CDK4CCND1CHRNB2CHRNA4 | |
| SCHEMBL25738417 | 0.75 | HDAC1 (0.44) | CDK4CCND1CDK6CDK2CDK1 | |
| SCHEMBL13768872 | 0.75 | HDAC1 (0.46) | CDK4CDK6HDAC1PRKCQ |
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-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |
| WO-2009085185-A1 | FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS | AMGEN INC. (US) | 2009-07-09 | — | — | WO | disclosed |