Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PADI4 | Q9UM07 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | 0.82 | PARP1 (0.45) | NPC1RAB9AATMPARP1HTT | |
| SCHEMBL18074831 | 0.79 | PARP1 (0.41) | NPC1RAB9AKMT2AATMPARP1 | |
| SCHEMBL3667347 | 0.74 | MAPK14 (0.42) | ATMPARP1HTTSMN1; SMN2TGFBR1 | |
| SCHEMBL2763150 | 0.74 | CDC7 (0.39) | NPC1RAB9AKMT2AATMMEN1 | |
| SCHEMBL3665777 | 0.74 | CCNE1 (0.40) | NPC1RAB9AKMT2AATMPARP1 | |
| SCHEMBL6674838 | 0.74 | CYP2A6 (0.55) | NPC1RAB9APARP1SMN1; SMN2TGFBR1 | |
| SCHEMBL6680179 | 0.74 | CHEK1 (0.39) | NPC1RAB9AATMPARP1HTT | |
| SCHEMBL6678664 | 0.74 | CA2 (0.46) | KMT2ALMNAGAA | |
| SCHEMBL3666596 | 0.73 | CYP2A6 (0.37) | NPC1RAB9AKMT2AATMPARP1 | |
| SCHEMBL3672899 | 0.73 | CYP2A6 (0.40) | NPC1RAB9AATMPARP1HTT |
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 |