Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 6/20 | 0.36 |
| ▸ | FLT1 | P17948 | 2/20 | 0.36 |
| ▸ | FLT4 | P35916 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.31 |
| ▸ | BMP4 | P12644 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28042544 | 0.77 | PDE10A (0.45) | MELKKDRFLT1FLT4PDE10A | |
| SCHEMBL15905011 | 0.66 | PDE10A (0.74) | PDE10A | |
| SCHEMBL28246190 | 0.62 | MELK (0.56) | MELKKDRFLT1FLT4DYRK1A | |
| SCHEMBL15293875 | 0.61 | CYP2A6 (0.44) | ADORA3ADORA1DYRK1ACYP3A4CYP2C9 | |
| SCHEMBL15904208 | 0.60 | PDE10A (0.50) | MELKPDE10AADORA3ADORA1CYP3A4 | |
| SCHEMBL7106119 | 0.60 | MAPT (0.48) | CYP3A4 | |
| SCHEMBL12410565 | 0.59 | MELK (0.54) | MELKADORA1DYRK1AMKNK1MKNK2 | |
| SCHEMBL24921055 | 0.59 | RXRA (0.40) | ALKBH1 | |
| SCHEMBL6508391 | 0.58 | MELK (0.56) | MELKKDRFLT1FLT4MKNK1 | |
| SCHEMBL16991685 | 0.58 | MAOA (0.63) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105008346-B | Pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors | 帕罗生物制药有限公司 | 2018-11-13 | — | — | CN | disclosed |