Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 2/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.60 |
| ▸ | F12 | P00748 | 1/20 | 0.60 |
| ▸ | NCF1 | P14598 | 1/20 | 0.60 |
| ▸ | NOS3 | P29474 | 1/20 | 0.60 |
| ▸ | NOS1 | P29475 | 1/20 | 0.60 |
| ▸ | NOS2 | P35228 | 1/20 | 0.60 |
| ▸ | BACE1 | P56817 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.53 |
| ▸ | PLG | P00747 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL199273 | 1.00 | PLAU (0.60) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL30522769 | 0.97 | PLAU (0.58) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL13978866 | 0.90 | PLAU (0.56) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL12223316 | 0.90 | PLAU (0.56) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL12112873 | 0.88 | MAPT (0.58) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL4500979 | 0.87 | KDM4E (0.53) | PLAUCYP2A6F12NCF1NOS3 | |
| Dipyridyl SCHEMBL4596384 | 0.87 | KDM4E (0.56) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL50715 | 0.86 | KDM4E (0.66) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL29398625 | 0.86 | KDM4E (0.66) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL24663020 | 0.84 | MAPT (0.50) | PLAUCYP2A6F12NCF1NOS3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116874421-A | Method for synthesizing 1,1' -biisoquinoline derivative from 2, 2-dimethyl-4, 5-diaryl-2H-imidazole | 桂林理工大学 | 2023-10-13 | — | — | CN | claimed |
| CN-116621777-A | Method for synthesizing 1,1' -biisoquinoline oxynitride | 桂林理工大学 | 2023-08-22 | — | — | CN | claimed |
| CN-116874421-A | Method for synthesizing 1,1' -biisoquinoline derivative from 2, 2-dimethyl-4, 5-diaryl-2H-imidazole | 桂林理工大学 | 2023-10-13 | — | — | CN | disclosed |
| CN-116874421-A | Method for synthesizing 1,1' -biisoquinoline derivative from 2, 2-dimethyl-4, 5-diaryl-2H-imidazole | 桂林理工大学 | 2023-10-13 | — | — | CN | disclosed |
| CN-116874421-A | Method for synthesizing 1,1' -biisoquinoline derivative from 2, 2-dimethyl-4, 5-diaryl-2H-imidazole | 桂林理工大学 | 2023-10-13 | — | — | CN | disclosed |
| CN-116621777-A | Method for synthesizing 1,1' -biisoquinoline oxynitride | 桂林理工大学 | 2023-08-22 | — | — | CN | disclosed |
| CN-116621777-A | Method for synthesizing 1,1' -biisoquinoline oxynitride | 桂林理工大学 | 2023-08-22 | — | — | CN | disclosed |
| CN-116621777-A | Method for synthesizing 1,1' -biisoquinoline oxynitride | 桂林理工大学 | 2023-08-22 | — | — | CN | disclosed |
| EP-4055013-A1 | WDR5 INHIBITORS AND MODULATORS | Vanderbilt University (US) | 2022-09-14 | — | — | EP | disclosed |