Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CB | P42338 | 1/20 | 0.54 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.43 |
| ▸ | ATR | Q13535 | 5/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.43 |
| ▸ | ATRIP | Q8WXE1 | 4/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6626899 | 1.00 | PIK3CB (0.54) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL6626153 | 1.00 | PIK3CB (0.54) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL6627741 | 1.00 | PIK3CB (0.54) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL6626158 | 1.00 | PIK3CB (0.54) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL6625731 | 0.89 | PDCD1 (0.47) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL6625743 | 0.89 | PDCD1 (0.47) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL6625736 | 0.89 | PDCD1 (0.47) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL2945859 | 0.88 | PIK3CB (0.72) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL6625239 | 0.88 | PIK3CB (0.72) | PIK3CBPDCD1CD274ATRCHEK1 | |
| SCHEMBL2945855 | 0.88 | PIK3CB (0.72) | PIK3CBPDCD1CD274ATRCHEK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1020462-B1 | HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT | ZENYAKU KOGYO KK (JP) | 2004-02-11 | — | — | EP | disclosed |
| US-6251900-B1 | Heterocyclic compounds and antitumor agent containing the same as active ingredient | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 2001-06-26 | — | — | US | disclosed |
| EP-1020462-A1 | HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 2000-07-19 | — | — | EP | disclosed |