Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | POLA1 | P09884 | 1/20 | 0.36 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.35 |
| ▸ | MAP3K6 | O95382 | 1/20 | 0.35 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | SORD | Q00796 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3578267 | 0.85 | ALDH1A1 (0.53) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL2640836 | 0.83 | ALDH1A1 (0.53) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL4447459 | 0.79 | KDM4E (0.47) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL5033486 | 0.76 | CDK2 (0.49) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL375956 | 0.75 | ALDH1A1 (0.59) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL28839814 | 0.75 | ALDH1A1 (0.46) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| Isopropyl Alcohol SCHEMBL10551705 | 0.75 | CDK2 (0.51) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL16178779 | 0.74 | ALDH1A1 (0.46) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL8741748 | 0.73 | KDM4E (0.49) | KDM4EALDH1A1RXFP1CDK2PAK1 | |
| SCHEMBL7943075 | 0.73 | KDM4E (0.41) | KDM4EALDH1A1RXFP1CDK2PAK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118652276-B | Preparation process of compound for treating cancer diseases | 成都工业学院 | 2024-10-15 | — | — | CN | disclosed |
| CN-118652276-A | Preparation process of compound for treating cancer diseases | 成都工业学院 | 2024-09-17 | — | — | CN | disclosed |