Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | PIM1 | P11309 | 3/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.50 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM4B | O94953 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL144026 | 0.87 | PARP1 (0.74) | PARP1ALDH1A1PIM1CHEK1RPS6KA3 | |
| SCHEMBL145141 | 0.83 | PDE4A (0.53) | PARP1ALDH1A1CHEK1PDE4APDE4B | |
| SCHEMBL7200691 | 0.83 | PARP1 (0.40) | PARP1ALDH1A1PIM1CHEK1RPS6KA3 | |
| SCHEMBL643424 | 0.74 | ALDH1A1 (1.00) | PARP1ALDH1A1PIM1CHEK1RPS6KA3 | |
| SCHEMBL29701199 | 0.74 | PARP1 (1.00) | PARP1ALDH1A1PIM1CHEK1PDPK1 | |
| SCHEMBL29898482 | 0.74 | ALDH1A1 (1.00) | PARP1ALDH1A1PIM1CHEK1RPS6KA3 | |
| SCHEMBL216176 | 0.74 | PARP1 (1.00) | PARP1ALDH1A1PIM1CHEK1PDPK1 | |
| SCHEMBL4083037 | 0.73 | ALDH1A1 (0.45) | PARP1ALDH1A1PIM1CHEK1RPS6KA3 | |
| Ethoxycarbonyl Group SCHEMBL27863135 | 0.72 | PARP1 (0.54) | PARP1ALDH1A1PIM1CHEK1RPS6KA3 | |
| SCHEMBL29390639 | 0.70 | PDE4A (0.53) | PARP1ALDH1A1SMN1; SMN2PDE4APDE4B |
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-1353693-A2 | PHARMACEUTICAL COMBINATION CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT FOR THE TREATMENT OF CANCER | GLAXO GROUP LIMITED (GB) | 2003-10-22 | — | — | EP | disclosed |
| WO-2002056912-A2 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF CANCER CONTAINING A 4-QUINAZOLINEAMINE AND ANOTHER ANTI-NEOPLASTIC AGENT | GLAXO GROUP LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |