Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | VHL | P40337 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18074831 | 0.88 | PARP1 (0.41) | CYP2A6NPC1TP53RAB9APKM | |
| SCHEMBL6674838 | 0.86 | CYP2A6 (0.55) | CYP2A6NPC1TP53RAB9APKM | |
| SCHEMBL6676219 | 0.85 | HTT (0.43) | NPC1TP53RAB9APKMSMN1; SMN2 | |
| SCHEMBL6674323 | 0.78 | PDGFRB (0.46) | CYP2A6NPC1TP53RAB9APKM | |
| SCHEMBL3667468 | 0.76 | PARP1 (0.45) | CYP2A6NPC1RAB9ASMN1; SMN2GAA | |
| [2,3'']Bipyridinyl SCHEMBL29389597 | 0.72 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9APKM | |
| [2,3'']Bipyridinyl SCHEMBL998601 | 0.72 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9APKM | |
| [2,3'']Bipyridinyl SCHEMBL29360744 | 0.72 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9APKM | |
| [2,3'']Bipyridinyl SCHEMBL29486847 | 0.72 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9APKM | |
| [2,3'']Bipyridinyl SCHEMBL1418333 | 0.71 | CYP2A6 (0.96) | CYP2A6NPC1TP53RAB9APKM |
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 |