Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CCNH | P51946 | 1/20 | 0.34 |
| ▸ | POLA1 | P09884 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28839814 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL5134319 | 0.79 | ALDH1A1 (0.39) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL11200783 | 0.79 | ALDH1A1 (0.58) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL28759590 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL30020945 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| Water SCHEMBL28488923 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL5325201 | 0.77 | SLC7A5 (0.47) | ALDH1A1KDM4ERXFP1CDK2CCNT1 | |
| SCHEMBL23779416 | 0.75 | ALDH1A1 (0.44) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| SCHEMBL10694875 | 0.75 | ALDH1A1 (0.46) | ALDH1A1KDM4ERXFP1CDK2PAK1 | |
| Iodide SCHEMBL28673351 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4ERXFP1CDK2PAK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2438068-A1 | SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES | Univerzita Palackého v Olomouci (CZ) | 2012-04-11 | — | — | EP | claimed |
| WO-2010139289-A1 | SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2010-12-09 | — | — | WO | claimed |