Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL171640 | 0.85 | CCNE2 (0.44) | PAK4TP53ALDH1A1HDAC1LMNA | |
| SCHEMBL98783 | 0.81 | ALDH1A1 (0.39) | PAK4ALDH1A1L3MBTL1LMNAGAA | |
| SCHEMBL169444 | 0.80 | L3MBTL1 (0.35) | ALDH1A1L3MBTL1HDAC1LMNAGAA | |
| SCHEMBL98098 | 0.77 | PIK3CA (0.49) | ALDH1A1L3MBTL1HDAC1LMNAGAA | |
| SCHEMBL171439 | 0.76 | SMN1; SMN2 (0.35) | ALDH1A1L3MBTL1LMNAMAPT | |
| SCHEMBL97697 | 0.75 | CCNE2 (0.42) | TP53HDAC1CCNE2CCNE1CDK2 | |
| SCHEMBL171138 | 0.75 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MAPT | |
| SCHEMBL97698 | 0.75 | GAA (0.39) | TP53ALDH1A1L3MBTL1LMNAGAA | |
| SCHEMBL97830 | 0.74 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1GAA | |
| SCHEMBL171495 | 0.73 | KDM1A (0.34) | TP53ALDH1A1L3MBTL1LMNAMAPT |
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-2426130-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-03-07 | — | — | EP | disclosed |