Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 3/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | CLK3 | P49761 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL28791581 | 0.99 | NCOA3 (0.34) | NCOA3KIF11KDM4EPOLBHTT | |
| SCHEMBL28191384 | 0.87 | KIF11 (0.43) | KIF11KDM4EACHECDK4CCND1 | |
| Isoquinoline SCHEMBL27510953 | 0.87 | NCOA3 (0.34) | NCOA3KIF11KDM4EPOLBHTT | |
| Isoquinoline SCHEMBL27679477 | 0.87 | KDM4E (0.45) | NCOA3KIF11KDM4EPOLBHTT | |
| Isoquinoline SCHEMBL27640918 | 0.87 | NCOA3 (0.34) | NCOA3KIF11KDM4EPOLBHTT | |
| Isoquinoline SCHEMBL27851409 | 0.86 | NCOA3 (0.33) | NCOA3KIF11KDM4EPOLBHTT | |
| Isoquinoline SCHEMBL27749908 | 0.85 | CYP11B1 (0.39) | NCOA3KIF11KDM4ECYP11B1CLK1 | |
| Isoquinoline SCHEMBL28753569 | 0.84 | NCOA3 (0.35) | NCOA3KIF11KDM4EPOLBHTT | |
| SCHEMBL27830824 | 0.83 | CYP11B1 (0.43) | KIF11KDM4ECYP11B1CLK1CDK4 | |
| Isoquinoline SCHEMBL27851462 | 0.83 | NCOA3 (0.35) | NCOA3KIF11KDM4EPOLBHTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101146808-B | Phenyl methanone derivatives and their use as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE | 2011-10-12 | — | — | CN | disclosed |
| CN-100516061-C | Pyridine derivatives as NMDA receptor ligands | HOFFMANN LA ROCHE (CH) | 2009-07-22 | — | — | CN | disclosed |
| CN-100480248-C | Malonamide derivatives as gamma-secretase inhibitors | HOFFMANN LA ROCHE (CH) | 2009-04-22 | — | — | CN | disclosed |
| CN-101146808-A | Phenyl methanone derivatives and their use as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | CN | disclosed |
| CN-1745076-A | Malonamide derivatives as gamma-secretase inhibitors | HOFFMANN LA ROCHE (CH) | 2006-03-08 | — | — | CN | disclosed |
| CN-1585762-A | Pyridine derivatives as NMDA receptor ligands | HOFFMANN LA ROCHE (CH) | 2005-02-23 | — | — | CN | disclosed |