Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.77 |
| ▸ | HPGD | P15428 | 6/20 | 0.77 |
| ▸ | MAPT | P10636 | 5/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.77 |
| ▸ | RAB9A | P51151 | 3/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.76 |
| ▸ | HTT | P42858 | 4/20 | 0.76 |
| ▸ | TP53 | P04637 | 3/20 | 0.76 |
| ▸ | TSHR | P16473 | 3/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.76 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30581235 | 1.00 | KDM4E (1.00) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL23552408 | 0.89 | KDM4E (0.81) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL29076129 | 0.87 | KDM4E (0.78) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL30581246 | 0.87 | KDM4E (0.78) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL29077099 | 0.87 | KDM4E (0.77) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL29076120 | 0.87 | KDM4E (0.77) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL30581238 | 0.87 | KDM4E (0.77) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL29077095 | 0.87 | KDM4E (0.77) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL29076256 | 0.87 | KDM4E (0.77) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL30617067 | 0.87 | KDM4E (0.77) | KDM4ENPSR1ALDH1A1HPGDMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116789663-A | Method for synthesizing 5-alkyl benzimidazol isoquinoline derivative | 长沙理工大学 | 2023-09-22 | — | — | CN | disclosed |
| 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 |