Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.62 |
| ▸ | MPO | P05164 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 3/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.46 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24021885 | 0.79 | CDK1 (0.53) | CDK1CDK2CCNB1CCNE1CYP1A2 | |
| SCHEMBL2153011 | 0.78 | CYP2C19 (0.47) | CDK1MPOCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL3209666 | 0.78 | CDK1 (0.60) | CDK1MPOCDK2CCNB1CCNE1 | |
| SCHEMBL13521265 | 0.78 | CDK1 (0.50) | CDK1CDK2CCNB1CCNE1CYP1A2 | |
| SCHEMBL8648457 | 0.78 | CYP2C19 (0.49) | MPOCYP1A2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL14612509 | 0.77 | CDK1 (0.51) | CDK1CDK2CCNB1CCNE1CYP1A2 | |
| SCHEMBL8647716 | 0.77 | CDK1 (0.52) | CDK1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7999866 | 0.77 | CDK1 (1.00) | CDK1CDK2CCNB1CCNE1CYP1A2 | |
| SCHEMBL13866472 | 0.77 | CDK1 (0.62) | CDK1CDK2CCNB1CCNE1CYP1A2 | |
| SCHEMBL6266942 | 0.76 | CYP2C19 (0.45) | CDK1MPOCDK2CCNB1CCNE1 |
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-2000033657-A1 | METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY | CROPDESIGN N.V. (BE) | 2000-06-15 | — | — | WO | disclosed |