Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30530528 | 0.66 | GBA1 (0.34) | NOS1NOS2GBA1 | |
| SCHEMBL14582880 | 0.66 | DDB1 (0.42) | NOS1NOS2MAPT | |
| SCHEMBL29077882 | 0.65 | NOS1 (0.41) | NOS1NOS2GBA1 | |
| SCHEMBL28453641 | 0.63 | OPRM1 (0.44) | NOS1NOS2 | |
| SCHEMBL7565494 | 0.63 | GBA1 (0.45) | GBA1 | |
| SCHEMBL4609517 | 0.62 | GBA1 (0.50) | ACHEGBA1 | |
| SCHEMBL6519938 | 0.61 | GBA1 (0.43) | GBA1 | |
| SCHEMBL595263 | 0.61 | GBA1 (0.59) | ACHEGBA1 | |
| SCHEMBL9700293 | 0.61 | ALDH1A1 (0.37) | GBA1 | |
| SCHEMBL27439538 | 0.61 | GBA1 (0.48) | ACHEGBA1 |
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-1909909-B | 1-benzyl-5-piperazin-1-yl-3, 4 dihydro-1H-quinazolin-2-one derivatives and each of 1H-benzo (1, 2, 6) thiadiazin-2, 2-dioxide and 1, 4-dihydro-benzo (D) (1, 3) × oxazin-2-one derivatives as 5-hydroxytryptamine receptor (5-HT) modulators for the treatment of central nervous system diseases | HOFFMANN LA ROCHE | 2010-12-15 | — | — | CN | disclosed |
| CN-1909909-A | 1-benzyl-5-piperazin-1-yl-3, 4 dihydro-1H-quinazolin-2-one derivatives and each of 1H-benzo (1,2,6) thiadiazin-2, 2-dioxide and 1, 4-dihydro-benzo (D) (1,3) oxazin-2-one derivatives as 5-hydroxytryptamine receptor (5-HT) modulators for the treatment of central nervous system diseases | HOFFMANN LA ROCHE (CH) | 2007-02-07 | — | — | CN | disclosed |