Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | JMJD1C | Q15652 | 1/20 | 0.44 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCND2 | P30279 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29502663 | 0.85 | KDM4E (0.62) | KDM4EKDM5AJMJD1CKDM3AACACB | |
| SCHEMBL27886306 | 0.85 | KDM4E (0.45) | KDM4EKDM5AJMJD1CKDM3AAKT3 | |
| SCHEMBL2943654 | 0.85 | KDM4E (0.45) | KDM4EKDM5AJMJD1CKDM3AACACB | |
| SCHEMBL29502645 | 0.82 | KDM4E (0.42) | KDM4EKDM5AJMJD1CKDM3AACACB | |
| Lithium Ion SCHEMBL29502635 | 0.82 | KDM4E (0.42) | KDM4EKDM5AJMJD1CKDM3AACACB | |
| SCHEMBL2945948 | 0.77 | GRM4 (0.35) | KDM4EKDM5AJMJD1CKDM3AACACB | |
| SCHEMBL22242922 | 0.77 | KDM4E (0.40) | KDM4EKDM5AJMJD1CKDM3AACACB | |
| SCHEMBL11451174 | 0.75 | CYP1A2 (0.35) | KDM4EKDM5AJMJD1CKDM3AL3MBTL1 | |
| SCHEMBL30416059 | 0.74 | CTPS1 (0.49) | — | |
| SCHEMBL21392172 | 0.74 | CTPS1 (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101061108-A | Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives | AVENTIS PHARMA SA (FR) | 2007-10-24 | — | — | CN | disclosed |