Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 5/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | CCR4 | P51679 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28045843 | 0.86 | TDO2 (0.37) | CTSAFYNDHFRNUDT1PDE4B | |
| SCHEMBL20372931 | 0.82 | CTSA (0.41) | CTSANR1I3FYNDHFRNUDT1 | |
| SCHEMBL16044274 | 0.81 | CTSA (0.45) | CTSANR1I3FYNDHFRNUDT1 | |
| SCHEMBL16043752 | 0.81 | DHFR (0.49) | CTSANR1I3FYNDHFRNUDT1 | |
| SCHEMBL16043766 | 0.79 | CTSA (0.41) | CTSANR1I3FYNDHFRNUDT1 | |
| SCHEMBL16044270 | 0.79 | CTSA (0.41) | CTSANR1I3FYNDHFRNUDT1 | |
| SCHEMBL16043821 | 0.78 | CTSA (0.45) | CTSANR1I3FYNDHFR | |
| SCHEMBL16046809 | 0.78 | CTSA (0.43) | CTSANR1I3FYNDHFRNUDT1 | |
| SCHEMBL16045821 | 0.77 | PDE4B (0.46) | CTSANR1I3FYNDHFRNUDT1 | |
| SCHEMBL16044967 | 0.77 | CTSA (0.42) | CTSANR1I3FYNNUDT1PDE4B |
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 |