Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159471 | 0.79 | CDK2 (0.59) | HTTCDK4CDK2CCNE1AURKA | |
| SCHEMBL7800860 | 0.78 | CYP2A6 (0.50) | ALDH1A1CYP2A6CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL6159448 | 0.78 | CDK2 (0.48) | CDK4CDK2CCNE1AURKACDK1 | |
| Hydrochloric Acid SCHEMBL7807397 | 0.77 | CYP2A6 (0.49) | ALDH1A1CYP2A6CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7468872 | 0.76 | KDM4E (0.57) | ALDH1A1HPGDCYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19554159 | 0.75 | KDM4E (0.41) | ALDH1A1CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7467076 | 0.73 | KCNH2 (0.41) | CYP2A6CDK2CDK9 | |
| SCHEMBL7470843 | 0.72 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EHTTTSHR | |
| SCHEMBL18866730 | 0.72 | ALDH1A1 (0.60) | ALDH1A1HPGDCYP2A6CYP3A4CYP2C19 | |
| SCHEMBL7476653 | 0.72 | ABL1 (0.48) | ALDH1A1CYP3A4CYP2C19CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |