Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | PKM | P14618 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28289712 | 0.91 | KDM4E (0.51) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL7350393 | 0.87 | KDM4E (0.67) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL28307941 | 0.85 | KDM4E (0.68) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL16197999 | 0.82 | MAPT (0.73) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL28291150 | 0.82 | KDM4E (0.66) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL15584613 | 0.81 | KCNJ1 (0.57) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL7350400 | 0.78 | KDM4E (0.54) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL8601357 | 0.78 | KDM4E (1.00) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL9642133 | 0.78 | MAPT (1.00) | KDM4EALDH1A1MAPTKCNJ1LMNA | |
| SCHEMBL13217181 | 0.78 | ALDH1A1 (0.59) | KDM4EALDH1A1MAPTKCNJ1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109593804-B | Method for quickly synthesizing nitrobenzimidazole derivative through enzyme catalysis | 浙江工业大学 | 2021-06-08 | — | — | CN | disclosed |
| CN-109593804-A | A kind of method of enzymatic rapid synthesis nitrobenzimidazole analog derivative | 浙江工业大学 | 2019-04-09 | — | — | CN | disclosed |