Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 19/20 | 0.62 |
| ▸ | CCNE1 | P24864 | 17/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 14/20 | 0.62 |
| ▸ | CDK9 | P50750 | 5/20 | 0.51 |
| ▸ | CDK1 | P06493 | 4/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.51 |
| ▸ | CDK4 | P11802 | 3/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.51 |
| ▸ | CCND1 | P24385 | 3/20 | 0.51 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.51 |
| ▸ | CDK7 | P50613 | 3/20 | 0.50 |
| ▸ | CCNH | P51946 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 1/20 | 0.48 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.47 |
| ▸ | MNAT1 | P51948 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3725652 | 0.90 | CDK2 (0.62) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL2910732 | 0.89 | CDK2 (0.67) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL3726416 | 0.88 | CDK2 (0.56) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL3714764 | 0.88 | CDK2 (0.58) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL3724482 | 0.86 | CDK2 (0.51) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL3719061 | 0.85 | CDK2 (0.59) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL3721957 | 0.83 | CDK2 (0.52) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL2910993 | 0.83 | CDK2 (0.75) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL3720176 | 0.82 | TACR2 (0.49) | CDK2CCNE1CDK5CDK1CDK5R1 | |
| SCHEMBL3724953 | 0.82 | CDK2 (0.56) | CDK2CCNE1CDK5CDK9CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010139288-A1 | 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS | C3 BIO GMBH (DE) | 2010-12-09 | — | — | WO | disclosed |