Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 6/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 2/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL16043810 | 0.81 | TDO2 (0.39) | NUDT1TDO2DHFRPDE4BADORA1 | |
| SCHEMBL16045314 | 0.80 | PDE4B (0.43) | NUDT1TDO2DHFRPDE4BADORA1 | |
| SCHEMBL28045843 | 0.79 | TDO2 (0.37) | NUDT1TDO2DHFRPDE4BADORA1 | |
| SCHEMBL28604063 | 0.79 | PDE4B (0.44) | NUDT1TDO2DHFRPDE4BADORA1 | |
| SCHEMBL28045842 | 0.78 | PDE4B (0.42) | NUDT1TDO2DHFRPDE4BADORA1 | |
| Bromide SCHEMBL16044409 | 0.78 | PDE4B (0.43) | NUDT1TDO2DHFRPDE4BADORA1 | |
| SCHEMBL16045864 | 0.78 | DRD1 (0.42) | NUDT1TDO2DHFRPDE4BADORA1 | |
| SCHEMBL16047136 | 0.77 | KCNA5 (0.39) | NUDT1TDO2DHFRPDE4BADORA1 | |
| Bromide SCHEMBL16044408 | 0.77 | PDE4B (0.43) | NUDT1TDO2DHFRPDE4BADORA1 | |
| SCHEMBL16113533 | 0.76 | PTGS2 (0.41) | NUDT1TDO2DHFRADORA1ADORA2A |
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-105143207-A | Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors | DART NEUROSCIENCE LLC | 2015-12-09 | — | — | CN | disclosed |