Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29076183 | 1.00 | KDM4E (0.66) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL6844740 | 0.89 | KDM4E (0.67) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL29076168 | 0.86 | KDM4E (0.67) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL30581250 | 0.86 | KDM4E (0.67) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL6143071 | 0.85 | KDM4E (0.66) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL30581249 | 0.84 | KDM4E (0.60) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL30581236 | 0.84 | KDM4E (0.60) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL29076186 | 0.84 | KDM4E (0.60) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL29076126 | 0.84 | KDM4E (0.60) | KDM4ENPSR1ALDH1A1MAPTHPGD | |
| SCHEMBL29076118 | 0.83 | KDM4E (0.70) | KDM4ENPSR1ALDH1A1MAPTHPGD |
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-116789664-A | Method for synthesizing benzoimidazole isoquinoline analogue containing trifluoromethyl | 长沙理工大学 | 2023-09-22 | — | — | CN | disclosed |
| CN-116791110-A | Method for electrocatalytic synthesis of benzimidazoloisoquinoline analogue | 长沙理工大学 | 2023-09-22 | — | — | CN | disclosed |