Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.57 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.57 |
| ▸ | KDR | P35968 | 1/20 | 0.57 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6810130 | 0.97 | AURKA (0.54) | AURKAAURKBKDRCHEK2DGAT1 | |
| SCHEMBL6805914 | 0.90 | AURKA (0.55) | AURKAAURKBKDRDGAT1JAK2 | |
| SCHEMBL6806351 | 0.89 | AURKA (0.59) | AURKAAURKBKDRDGAT1KCNH2 | |
| SCHEMBL6802984 | 0.89 | JAK2 (0.53) | AURKAAURKBKDRDGAT1JAK2 | |
| SCHEMBL6809975 | 0.89 | AURKA (0.54) | AURKAAURKBKDRDGAT1JAK2 | |
| SCHEMBL6806391 | 0.89 | AURKA (0.54) | AURKAAURKBKDRDGAT1JAK2 | |
| SCHEMBL6805728 | 0.88 | AURKA (0.53) | AURKAAURKBKDRDGAT1JAK2 | |
| SCHEMBL6805222 | 0.88 | AURKA (0.75) | AURKAAURKBKDRCHEK2DGAT1 | |
| SCHEMBL6810290 | 0.86 | AURKA (0.54) | AURKAAURKBKDRCHEK2DGAT1 | |
| SCHEMBL6805101 | 0.86 | AURKA (0.64) | AURKAAURKBKDRCHEK2DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6696437-B1 | Heterocyclically substituted benzimidazoles, the production and application thereof | ABBOTT GMBH & CO. KG (DE) | 2004-02-24 | — | — | US | disclosed |