Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | 0.90 | TDO2 (0.39) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL16047136 | 0.88 | KCNA5 (0.39) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL28045775 | 0.86 | CTSA (0.45) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL16045405 | 0.80 | HCRTR1 (0.35) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL28045798 | 0.79 | NUDT1 (0.40) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL16045314 | 0.79 | PDE4B (0.43) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL28604063 | 0.78 | PDE4B (0.44) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL28045842 | 0.77 | PDE4B (0.42) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| SCHEMBL16045864 | 0.77 | DRD1 (0.42) | TDO2DHFRNUDT1PDE4BLIMK1 | |
| Bromide SCHEMBL16044409 | 0.77 | PDE4B (0.43) | TDO2DHFRNUDT1PDE4BLIMK1 |
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 |