Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 4/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.34 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 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 | |
|---|---|---|---|---|
| SCHEMBL3666596 | 0.87 | CYP2A6 (0.37) | PARP1ALDH1A1CDK2CCNE1CDC7 | |
| SCHEMBL6695728 | 0.80 | MCL1 (0.45) | PARP1ALDH1A1 | |
| SCHEMBL3665777 | 0.75 | CCNE1 (0.40) | PARP1ALDH1A1CDK2CCNE1PIM1 | |
| SCHEMBL6692469 | 0.73 | TNKS (0.44) | DHODHMAPTMETAP2 | |
| SCHEMBL3672899 | 0.72 | CYP2A6 (0.40) | PARP1ALDH1A1CDC7GSK3BDHODH | |
| SCHEMBL3667468 | 0.72 | PARP1 (0.45) | PARP1ALDH1A1CDK2CCNE1CDC7 | |
| SCHEMBL3667347 | 0.70 | MAPK14 (0.42) | PARP1ALDH1A1CDK2CCNE1GSK3B | |
| SCHEMBL16151260 | 0.70 | IMPDH2 (0.34) | GSK3B | |
| SCHEMBL3668802 | 0.69 | PRMT5 (0.38) | PARP1ALDH1A1CDC7DBF4HTT | |
| SCHEMBL3876408 | 0.69 | DHODH (0.50) | ALDH1A1DHODHNAPRTMAPTHTT |
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-1465626-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | Eisai Co., Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003047577-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | EISAI CO LTD (JP) | 2003-06-12 | — | — | WO | disclosed |