Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | CTSA | P10619 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28027846 | 0.86 | PTGS2 (0.49) | KMT2APTGS2CNR1MEN1MAPT | |
| SCHEMBL16113533 | 0.82 | PTGS2 (0.41) | KMT2APTGS2CTSACNR1TDO2 | |
| SCHEMBL16113418 | 0.81 | PTGS2 (0.40) | KMT2APTGS2PDE4BCNR1TDO2 | |
| SCHEMBL16114414 | 0.81 | PTGS2 (0.42) | KMT2APTGS2FYNCTSAPDE4B | |
| SCHEMBL29501264 | 0.78 | SCN9A (0.53) | KMT2APDE4BPDE4APDE4CPDE4D | |
| SCHEMBL19430888 | 0.76 | LMNA (0.41) | KMT2APTGS2MEN1HPGDSCN9A | |
| SCHEMBL16113480 | 0.72 | HDAC1 (0.43) | CTSAPDE4BPDE4DCNR1SCN9A | |
| SCHEMBL16114418 | 0.71 | HDAC1 (0.40) | KMT2APTGS2FYNCNR1MEN1 | |
| SCHEMBL16113685 | 0.71 | PDE4D (0.40) | PTGS2PDE4BPDE4DCNR1SCN9A | |
| SCHEMBL16046641 | 0.71 | PDE4B (0.41) | FYNCTSAPDE4BPDE4APDE4C |
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 |