Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3667468 | 0.91 | PARP1 (0.45) | CHEK1PARP1HTTSMN1; SMN2ATM | |
| SCHEMBL6674838 | 0.82 | CYP2A6 (0.55) | PARP1SMN1; SMN2TGFBR1CDC7DBF4 | |
| SCHEMBL6678664 | 0.81 | CA2 (0.46) | TNKSLMNAGAA | |
| SCHEMBL2921725 | 0.80 | CDK2 (0.45) | CHEK1HTTSMN1; SMN2CDC7ALDH1A1 | |
| SCHEMBL3665777 | 0.80 | CCNE1 (0.40) | CHEK1PARP1HTTSMN1; SMN2ATM | |
| SCHEMBL3667347 | 0.80 | MAPK14 (0.42) | CHEK1PARP1HTTSMN1; SMN2ATM | |
| SCHEMBL18074831 | 0.79 | PARP1 (0.41) | CHEK1PARP1HTTSMN1; SMN2ATM | |
| SCHEMBL3666596 | 0.79 | CYP2A6 (0.37) | CHEK1PARP1HTTSMN1; SMN2ATM | |
| SCHEMBL3672899 | 0.79 | CYP2A6 (0.40) | CHEK1PARP1HTTSMN1; SMN2ATM | |
| SCHEMBL6675174 | 0.79 | HTT (0.39) | CHEK1PARP1HTTSMN1; SMN2ATM |
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 |