Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 10/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.45 |
| ▸ | CDK1 | P06493 | 11/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CLK1 | P49759 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3445822 | 1.00 | CDK2 (0.45) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3444532 | 0.90 | CDK2 (0.47) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3444534 | 0.90 | CDK2 (0.47) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3445869 | 0.89 | CDK2 (0.48) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3445867 | 0.89 | CDK2 (0.48) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3444379 | 0.89 | CDK1 (0.48) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3444369 | 0.86 | CDK1 (0.54) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3444365 | 0.86 | CDK1 (0.54) | CDK2CCNE1CDK1CCNB2CCNB1 | |
| SCHEMBL3445298 | 0.85 | CDK2 (0.44) | CDK2CCNE1CDK1CDK5CDK5R1 | |
| SCHEMBL3444355 | 0.84 | CDK2 (0.51) | CDK2CCNE1CDK1CCNB2CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7816350-B2 | Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2010-10-19 | — | — | US | claimed |